REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1qff_1_A DATA FIRST_RESID 19 DATA SEQUENCE ESAWGPAATI AARQSATGTK TDTPIQKVPQ SISVVTAEEX ALHQPKSVKE DATA SEQUENCE ALSYTPGVSV GTRGASNTYD HLIIRGFAAE GQSQNNYLNG LKLQGNFYND DATA SEQUENCE AVIDPYXLER AEIXRGPVSV LYGKSSPGGL LNXVSKRPTT EPLKEVQFKA DATA SEQUENCE GTDSLFQTGF DFSDSLDDDG VYSYRLTGLA RSANAQQKGS EEQRYAIAPA DATA SEQUENCE FTWRPDDKTN FTFLSYFQNE PETGYYGWLP KEGTVEPLPN GKRLPTDFNE DATA SEQUENCE GAKNNTYSRN EKXVGYSFDH EFNDTFTVRQ NLRFAENKTS QNSVYGYGVc DATA SEQUENCE SDPANAYSKQ cAALAPADKG HYLARKYVVD DEKLQNFSVD TQLQSKFATG DATA SEQUENCE DIDHTLLTGV DFXRXRNDIN AWFGYDDSVP LLNLYNPSSH HHHHHGSSVN DATA SEQUENCE TDFDFNAKDP ANSGPYRILN KQKQTGVYVQ DQAQWDKVLV TLGGRYDWAD DATA SEQUENCE QESLNRVAGT TDKRDDKQFT WRGGVNYLFD NGVTPYFSYS ESFEPSSQVG DATA SEQUENCE KDGNIFAPSK GKQYEVGVKY VPEDRPIVVT GAVYNLTKTN NLXADPEGSF DATA SEQUENCE FSVEGGEIRA RGVEIEAKAA LSASVNVVGS YTYTDAEYTT DTTYKGNTPA DATA SEQUENCE QVPKHXASLW ADYTFFDGPL SGLTLGTGGR YTGSSYGDPA NSFKVGSYTV DATA SEQUENCE VDALVRYDLA RVGXAGSNVA LHVNNLFDRE YVAScFNTYG cFWGAERQVV DATA SEQUENCE ATATFRF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.569 176.600 -0.052 0.000 1.382 19 E CA 0.000 56.376 56.400 -0.040 0.000 0.976 19 E CB 0.000 29.668 29.700 -0.053 0.000 0.812 20 S N 2.704 118.381 115.700 -0.038 0.000 2.509 20 S HA 0.633 5.103 4.470 -0.001 0.000 0.297 20 S C 1.000 175.515 174.600 -0.142 0.000 1.118 20 S CA 0.273 58.446 58.200 -0.044 0.000 1.074 20 S CB 1.433 64.686 63.200 0.088 0.000 1.038 20 S HN 0.693 nan 8.310 nan 0.000 0.498 21 A N 4.428 127.027 122.820 -0.369 0.000 2.131 21 A HA -0.022 4.297 4.320 -0.001 0.000 0.220 21 A C 1.145 178.425 177.584 -0.506 0.000 1.158 21 A CA 0.939 52.646 52.037 -0.550 0.000 0.665 21 A CB -0.371 18.097 19.000 -0.885 0.000 0.795 21 A HN 0.914 nan 8.150 nan 0.000 0.460 22 W N -0.758 120.511 121.300 -0.051 0.000 3.102 22 W HA 0.449 5.108 4.660 -0.000 0.000 0.401 22 W C 0.577 177.062 176.519 -0.056 0.000 1.070 22 W CA 0.216 57.529 57.345 -0.053 0.000 1.921 22 W CB -0.372 29.057 29.460 -0.052 0.000 1.118 22 W HN 0.364 nan 8.180 nan 0.000 0.647 23 G N 0.183 109.036 108.800 0.089 0.000 2.788 23 G HA2 0.555 4.515 3.960 -0.001 0.000 0.293 23 G HA3 0.555 4.515 3.960 -0.001 0.000 0.293 23 G C -3.021 171.876 174.900 -0.005 0.000 1.392 23 G CA -1.178 43.949 45.100 0.045 0.000 0.810 23 G HN -0.438 nan 8.290 nan 0.000 0.508 24 P HA 0.368 nan 4.420 nan 0.000 0.269 24 P C -0.536 176.746 177.300 -0.029 0.000 1.211 24 P CA 0.289 63.376 63.100 -0.022 0.000 0.781 24 P CB 0.847 32.538 31.700 -0.016 0.000 0.877 25 A N 1.956 124.757 122.820 -0.033 0.000 2.311 25 A HA 0.566 4.885 4.320 -0.001 0.000 0.306 25 A C 1.067 178.636 177.584 -0.026 0.000 1.189 25 A CA -0.220 51.794 52.037 -0.037 0.000 0.791 25 A CB 0.824 19.796 19.000 -0.047 0.000 1.172 25 A HN 0.496 nan 8.150 nan 0.000 0.481 26 A N 2.224 125.031 122.820 -0.021 0.000 2.234 26 A HA 0.244 4.564 4.320 -0.001 0.000 0.216 26 A C 1.039 178.618 177.584 -0.009 0.000 1.167 26 A CA 1.938 53.968 52.037 -0.013 0.000 0.698 26 A CB -0.370 18.623 19.000 -0.012 0.000 0.779 26 A HN 0.745 nan 8.150 nan 0.000 0.475 27 T N -1.987 112.559 114.554 -0.013 0.000 2.896 27 T HA 0.432 4.781 4.350 -0.001 0.000 0.297 27 T C 0.825 175.520 174.700 -0.009 0.000 1.108 27 T CA -0.540 61.556 62.100 -0.006 0.000 1.004 27 T CB 1.226 70.089 68.868 -0.007 0.000 1.159 27 T HN -0.041 nan 8.240 nan 0.000 0.499 28 I N 1.094 121.665 120.570 0.002 0.000 2.229 28 I HA -0.137 4.033 4.170 -0.001 0.000 0.250 28 I C 1.528 177.637 176.117 -0.013 0.000 1.096 28 I CA 1.422 62.722 61.300 -0.001 0.000 1.358 28 I CB -0.707 37.307 38.000 0.024 0.000 1.047 28 I HN 0.711 nan 8.210 nan 0.000 0.422 29 A N 0.552 123.365 122.820 -0.011 0.000 2.260 29 A HA 0.810 5.130 4.320 -0.001 0.000 0.314 29 A C 0.037 177.599 177.584 -0.037 0.000 1.257 29 A CA -0.273 51.751 52.037 -0.021 0.000 0.871 29 A CB 0.253 19.245 19.000 -0.013 0.000 1.166 29 A HN 0.222 nan 8.150 nan 0.000 0.522 30 A N 2.457 125.248 122.820 -0.048 0.000 2.306 30 A HA 0.616 4.936 4.320 -0.001 0.000 0.314 30 A C 0.860 178.400 177.584 -0.073 0.000 1.164 30 A CA -0.667 51.332 52.037 -0.063 0.000 0.822 30 A CB 0.546 19.502 19.000 -0.074 0.000 1.130 30 A HN 0.905 nan 8.150 nan 0.000 0.496 31 R N 0.182 120.635 120.500 -0.078 0.000 2.206 31 R HA 0.079 4.419 4.340 -0.001 0.000 0.198 31 R C -0.150 176.088 176.300 -0.103 0.000 0.986 31 R CA 0.429 56.479 56.100 -0.084 0.000 1.029 31 R CB 0.158 30.412 30.300 -0.077 0.000 0.966 31 R HN 0.681 nan 8.270 nan 0.000 0.487 32 Q N 0.496 120.225 119.800 -0.119 0.000 2.282 32 Q HA 0.381 4.721 4.340 -0.001 0.000 0.260 32 Q C -0.903 174.977 176.000 -0.201 0.000 0.964 32 Q CA -0.169 55.538 55.803 -0.159 0.000 0.880 32 Q CB 2.320 30.958 28.738 -0.167 0.000 1.286 32 Q HN -0.087 nan 8.270 nan 0.000 0.445 33 S N 0.032 115.590 115.700 -0.237 0.000 2.533 33 S HA 0.679 5.149 4.470 -0.001 0.000 0.271 33 S C -1.006 173.405 174.600 -0.315 0.000 1.143 33 S CA 0.042 58.083 58.200 -0.267 0.000 0.891 33 S CB 1.329 64.412 63.200 -0.194 0.000 1.105 33 S HN 0.572 nan 8.310 nan 0.000 0.468 34 A N 2.386 124.975 122.820 -0.385 0.000 2.545 34 A HA 0.306 4.626 4.320 -0.001 0.000 0.263 34 A C 1.347 178.841 177.584 -0.151 0.000 1.202 34 A CA 0.685 52.514 52.037 -0.347 0.000 0.959 34 A CB -0.335 18.266 19.000 -0.666 0.000 1.124 34 A HN 1.107 nan 8.150 nan 0.000 0.543 35 T N -4.311 110.170 114.554 -0.121 0.000 3.107 35 T HA 0.256 4.606 4.350 -0.001 0.000 0.249 35 T C 1.275 175.983 174.700 0.013 0.000 1.096 35 T CA 1.153 63.247 62.100 -0.011 0.000 1.012 35 T CB 0.263 69.081 68.868 -0.084 0.000 0.977 35 T HN 0.263 nan 8.240 nan 0.000 0.527 36 G N 0.966 109.727 108.800 -0.065 0.000 2.848 36 G HA2 0.184 4.144 3.960 -0.001 0.000 0.213 36 G HA3 0.184 4.144 3.960 -0.001 0.000 0.213 36 G C 1.293 176.134 174.900 -0.098 0.000 1.101 36 G CA 0.603 45.654 45.100 -0.081 0.000 0.778 36 G HN 0.626 nan 8.290 nan 0.000 0.536 37 T N -3.370 111.124 114.554 -0.100 0.000 3.087 37 T HA 0.243 4.593 4.350 -0.001 0.000 0.283 37 T C 1.005 175.662 174.700 -0.071 0.000 0.956 37 T CA 0.331 62.373 62.100 -0.096 0.000 0.894 37 T CB 0.101 68.914 68.868 -0.092 0.000 1.160 37 T HN 0.093 nan 8.240 nan 0.000 0.532 38 K N 1.638 122.000 120.400 -0.063 0.000 3.209 38 K HA -0.147 4.173 4.320 -0.001 0.000 0.289 38 K C -0.411 176.242 176.600 0.088 0.000 1.191 38 K CA 1.335 57.627 56.287 0.009 0.000 0.851 38 K CB -2.560 29.918 32.500 -0.038 0.000 1.242 38 K HN 0.851 nan 8.250 nan 0.000 0.480 39 T N -2.678 111.882 114.554 0.010 0.000 3.041 39 T HA 0.178 4.528 4.350 -0.001 0.000 0.321 39 T C -0.720 173.900 174.700 -0.134 0.000 1.184 39 T CA -1.049 61.063 62.100 0.020 0.000 1.050 39 T CB 2.254 71.136 68.868 0.023 0.000 1.159 39 T HN 0.028 nan 8.240 nan 0.000 0.469 40 D N 2.357 122.625 120.400 -0.220 0.000 2.455 40 D HA 0.178 4.817 4.640 -0.001 0.000 0.265 40 D C -0.408 175.774 176.300 -0.197 0.000 1.284 40 D CA 0.984 54.772 54.000 -0.352 0.000 0.944 40 D CB 0.191 40.808 40.800 -0.304 0.000 1.121 40 D HN 0.613 nan 8.370 nan 0.000 0.525 41 T N 5.470 119.901 114.554 -0.204 0.000 2.912 41 T HA 0.411 4.760 4.350 -0.001 0.000 0.299 41 T C -2.558 172.058 174.700 -0.141 0.000 1.052 41 T CA -1.299 60.715 62.100 -0.143 0.000 0.996 41 T CB 2.462 71.254 68.868 -0.128 0.000 1.070 41 T HN 0.227 nan 8.240 nan 0.000 0.465 42 P HA 0.216 nan 4.420 nan 0.000 0.276 42 P C 1.465 178.703 177.300 -0.103 0.000 1.235 42 P CA -0.457 62.584 63.100 -0.099 0.000 0.772 42 P CB 0.496 32.153 31.700 -0.071 0.000 0.871 43 I N 2.081 122.585 120.570 -0.109 0.000 2.181 43 I HA -0.390 3.780 4.170 -0.001 0.000 0.247 43 I C 2.103 178.153 176.117 -0.111 0.000 1.081 43 I CA 1.749 62.980 61.300 -0.115 0.000 1.340 43 I CB -1.393 36.548 38.000 -0.098 0.000 1.036 43 I HN 0.330 nan 8.210 nan 0.000 0.417 44 Q N 2.629 122.386 119.800 -0.071 0.000 2.181 44 Q HA -0.201 4.138 4.340 -0.001 0.000 0.205 44 Q C 1.515 177.484 176.000 -0.052 0.000 0.980 44 Q CA 1.657 57.440 55.803 -0.034 0.000 0.862 44 Q CB -0.592 28.151 28.738 0.009 0.000 0.905 44 Q HN 0.641 nan 8.270 nan 0.000 0.429 45 K N 0.925 121.286 120.400 -0.066 0.000 2.546 45 K HA 0.218 4.537 4.320 -0.001 0.000 0.198 45 K C -0.535 175.991 176.600 -0.123 0.000 1.028 45 K CA -0.121 56.126 56.287 -0.067 0.000 1.150 45 K CB 0.640 33.109 32.500 -0.052 0.000 0.876 45 K HN -0.010 nan 8.250 nan 0.000 0.508 46 V N 2.818 122.618 119.914 -0.189 0.000 2.384 46 V HA 0.125 4.245 4.120 -0.001 0.000 0.287 46 V C -1.646 174.202 176.094 -0.410 0.000 1.020 46 V CA -1.646 60.508 62.300 -0.243 0.000 0.850 46 V CB 1.646 33.337 31.823 -0.220 0.000 0.987 46 V HN 0.065 nan 8.190 nan 0.000 0.436 47 P HA -0.055 nan 4.420 nan 0.000 0.242 47 P C 0.143 177.211 177.300 -0.387 0.000 1.198 47 P CA 0.721 63.591 63.100 -0.383 0.000 0.756 47 P CB 0.551 32.124 31.700 -0.211 0.000 0.911 48 Q N -0.999 118.554 119.800 -0.412 0.000 2.416 48 Q HA 0.356 4.695 4.340 -0.001 0.000 0.281 48 Q C -0.653 175.213 176.000 -0.224 0.000 1.067 48 Q CA -0.741 54.915 55.803 -0.245 0.000 0.809 48 Q CB 2.224 30.851 28.738 -0.185 0.000 1.418 48 Q HN -0.197 nan 8.270 nan 0.000 0.411 49 S N 1.816 117.464 115.700 -0.087 0.000 2.466 49 S HA 0.198 4.667 4.470 -0.001 0.000 0.286 49 S C -0.536 174.003 174.600 -0.101 0.000 1.221 49 S CA 0.140 58.312 58.200 -0.047 0.000 1.091 49 S CB -0.341 62.855 63.200 -0.005 0.000 0.956 49 S HN 0.240 nan 8.310 nan 0.000 0.501 50 I N 3.012 123.520 120.570 -0.103 0.000 2.447 50 I HA 0.298 4.467 4.170 -0.001 0.000 0.287 50 I C 0.060 176.126 176.117 -0.086 0.000 1.023 50 I CA 0.132 61.364 61.300 -0.114 0.000 1.083 50 I CB 2.057 39.974 38.000 -0.137 0.000 1.245 50 I HN 0.390 nan 8.210 nan 0.000 0.434 51 S N 4.360 120.011 115.700 -0.083 0.000 2.549 51 S HA 0.792 5.262 4.470 -0.001 0.000 0.297 51 S C -0.682 173.872 174.600 -0.077 0.000 1.115 51 S CA -0.590 57.572 58.200 -0.063 0.000 1.059 51 S CB 1.780 64.951 63.200 -0.047 0.000 1.046 51 S HN 0.284 nan 8.310 nan 0.000 0.506 52 V N 3.463 123.337 119.914 -0.067 0.000 2.447 52 V HA 0.328 4.448 4.120 -0.001 0.000 0.292 52 V C -0.659 175.396 176.094 -0.066 0.000 1.021 52 V CA -0.706 61.548 62.300 -0.076 0.000 0.850 52 V CB 1.692 33.464 31.823 -0.085 0.000 1.005 52 V HN 0.668 nan 8.190 nan 0.000 0.426 53 V N 4.649 124.520 119.914 -0.071 0.000 2.385 53 V HA 0.329 4.449 4.120 -0.001 0.000 0.269 53 V C 0.943 176.993 176.094 -0.073 0.000 1.043 53 V CA -0.290 61.965 62.300 -0.074 0.000 0.906 53 V CB 1.513 33.287 31.823 -0.083 0.000 0.995 53 V HN 1.014 nan 8.190 nan 0.000 0.467 54 T N 2.558 117.073 114.554 -0.066 0.000 2.813 54 T HA 0.402 4.752 4.350 -0.001 0.000 0.297 54 T C 1.377 176.044 174.700 -0.055 0.000 1.036 54 T CA 0.046 62.112 62.100 -0.057 0.000 1.044 54 T CB 1.408 70.249 68.868 -0.045 0.000 0.993 54 T HN 0.725 nan 8.240 nan 0.000 0.535 55 A N 0.026 122.819 122.820 -0.046 0.000 2.015 55 A HA -0.025 4.294 4.320 -0.001 0.000 0.219 55 A C 2.282 179.851 177.584 -0.025 0.000 1.163 55 A CA 1.496 53.511 52.037 -0.038 0.000 0.646 55 A CB -0.963 18.015 19.000 -0.038 0.000 0.806 55 A HN 1.034 nan 8.150 nan 0.000 0.448 56 E N 0.387 120.573 120.200 -0.023 0.000 2.051 56 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 56 E C 1.163 177.750 176.600 -0.022 0.000 0.991 56 E CA 0.781 57.174 56.400 -0.012 0.000 0.799 56 E CB -0.093 29.603 29.700 -0.006 0.000 0.748 56 E HN 0.763 nan 8.360 nan 0.000 0.449 60 L N -1.196 120.026 121.223 -0.003 0.000 2.577 60 L HA 0.455 4.795 4.340 -0.001 0.000 0.225 60 L C 1.360 178.152 176.870 -0.130 0.000 1.053 60 L CA 1.793 56.608 54.840 -0.042 0.000 0.866 60 L CB 0.168 42.112 42.059 -0.190 0.000 1.132 60 L HN 0.430 nan 8.230 nan 0.000 0.486 61 H N -1.513 117.438 119.070 -0.199 0.000 2.755 61 H HA 0.321 4.877 4.556 -0.001 0.000 0.273 61 H C -0.028 175.091 175.328 -0.347 0.000 1.055 61 H CA -0.315 55.627 56.048 -0.176 0.000 1.191 61 H CB 0.335 29.981 29.762 -0.194 0.000 1.536 61 H HN 0.015 nan 8.280 nan 0.000 0.529 62 Q N 0.740 120.349 119.800 -0.319 0.000 2.435 62 Q HA -0.131 4.209 4.340 -0.001 0.000 0.312 62 Q C -2.098 173.796 176.000 -0.177 0.000 1.333 62 Q CA 0.480 56.082 55.803 -0.334 0.000 0.883 62 Q CB -1.767 26.613 28.738 -0.596 0.000 1.170 62 Q HN 0.535 nan 8.270 nan 0.000 0.443 63 P HA -0.064 nan 4.420 nan 0.000 0.266 63 P C 0.694 177.952 177.300 -0.069 0.000 1.193 63 P CA 0.232 63.294 63.100 -0.065 0.000 0.770 63 P CB 0.747 32.409 31.700 -0.064 0.000 0.836 64 K N 0.727 121.094 120.400 -0.055 0.000 2.228 64 K HA 0.004 4.323 4.320 -0.001 0.000 0.202 64 K C 0.757 177.327 176.600 -0.050 0.000 1.051 64 K CA 0.754 57.007 56.287 -0.056 0.000 0.960 64 K CB 0.190 32.661 32.500 -0.048 0.000 0.743 64 K HN 0.709 nan 8.250 nan 0.000 0.458 65 S N -2.641 113.032 115.700 -0.045 0.000 2.656 65 S HA 0.171 4.641 4.470 -0.001 0.000 0.273 65 S C 0.756 175.328 174.600 -0.046 0.000 1.168 65 S CA -0.943 57.231 58.200 -0.044 0.000 0.817 65 S CB 1.547 64.721 63.200 -0.042 0.000 1.146 65 S HN -0.185 nan 8.310 nan 0.000 0.475 66 V N 1.770 121.654 119.914 -0.050 0.000 2.515 66 V HA -0.098 4.021 4.120 -0.001 0.000 0.250 66 V C 2.710 178.774 176.094 -0.051 0.000 1.058 66 V CA 2.172 64.437 62.300 -0.058 0.000 1.064 66 V CB -0.980 30.802 31.823 -0.068 0.000 0.675 66 V HN 0.968 nan 8.190 nan 0.000 0.461 67 K N 0.439 120.816 120.400 -0.037 0.000 1.991 67 K HA -0.286 4.034 4.320 -0.001 0.000 0.212 67 K C 2.198 178.782 176.600 -0.026 0.000 1.049 67 K CA 2.238 58.511 56.287 -0.024 0.000 0.932 67 K CB -0.153 32.344 32.500 -0.005 0.000 0.717 67 K HN 0.392 nan 8.250 nan 0.000 0.441 68 E N 0.128 120.312 120.200 -0.026 0.000 2.070 68 E HA -0.175 4.174 4.350 -0.001 0.000 0.197 68 E C 1.658 178.230 176.600 -0.045 0.000 1.004 68 E CA 1.632 58.017 56.400 -0.025 0.000 0.805 68 E CB -0.253 29.432 29.700 -0.024 0.000 0.744 68 E HN 0.476 nan 8.360 nan 0.000 0.451 69 A N -0.231 122.552 122.820 -0.062 0.000 2.234 69 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 69 A C 1.424 178.961 177.584 -0.078 0.000 1.167 69 A CA 0.832 52.814 52.037 -0.092 0.000 0.698 69 A CB -0.320 18.628 19.000 -0.087 0.000 0.779 69 A HN 0.233 nan 8.150 nan 0.000 0.475 70 L N -0.704 120.489 121.223 -0.051 0.000 3.017 70 L HA 0.140 4.480 4.340 -0.001 0.000 0.255 70 L C 1.496 178.350 176.870 -0.027 0.000 1.247 70 L CA -0.121 54.697 54.840 -0.037 0.000 1.038 70 L CB 0.370 42.401 42.059 -0.046 0.000 1.380 70 L HN 0.173 nan 8.230 nan 0.000 0.548 71 S N -0.622 115.061 115.700 -0.028 0.000 2.423 71 S HA -0.077 4.393 4.470 -0.001 0.000 0.231 71 S C 1.169 175.628 174.600 -0.234 0.000 1.014 71 S CA 1.087 59.212 58.200 -0.126 0.000 0.965 71 S CB -0.121 62.967 63.200 -0.187 0.000 0.785 71 S HN 0.454 nan 8.310 nan 0.000 0.495 72 Y N 1.937 122.191 120.300 -0.077 0.000 2.485 72 Y HA 0.219 4.769 4.550 -0.001 0.000 0.260 72 Y C 0.697 176.590 175.900 -0.013 0.000 1.173 72 Y CA -0.481 57.604 58.100 -0.025 0.000 1.252 72 Y CB -0.359 38.075 38.460 -0.042 0.000 1.123 72 Y HN 0.071 nan 8.280 nan 0.000 0.524 73 T N 1.842 116.442 114.554 0.076 0.000 2.767 73 T HA 0.290 4.640 4.350 -0.001 0.000 0.288 73 T C -2.624 172.082 174.700 0.010 0.000 0.963 73 T CA -2.147 59.975 62.100 0.038 0.000 1.019 73 T CB 1.570 70.438 68.868 -0.000 0.000 0.923 73 T HN -0.078 nan 8.240 nan 0.000 0.468 74 P HA 0.253 nan 4.420 nan 0.000 0.271 74 P C 1.006 178.293 177.300 -0.022 0.000 1.218 74 P CA 0.365 63.469 63.100 0.006 0.000 0.780 74 P CB 0.597 32.322 31.700 0.043 0.000 0.901 75 G N 0.693 109.471 108.800 -0.038 0.000 2.179 75 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.260 75 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.260 75 G C -0.193 174.663 174.900 -0.073 0.000 0.977 75 G CA 0.057 45.124 45.100 -0.056 0.000 0.641 75 G HN 0.576 nan 8.290 nan 0.000 0.533 76 V N 1.600 121.475 119.914 -0.066 0.000 2.483 76 V HA 0.704 4.824 4.120 -0.001 0.000 0.297 76 V C 0.509 176.568 176.094 -0.058 0.000 1.027 76 V CA -0.223 62.038 62.300 -0.066 0.000 0.855 76 V CB 1.761 33.547 31.823 -0.062 0.000 0.995 76 V HN 0.943 nan 8.190 nan 0.000 0.424 77 S N 3.491 119.159 115.700 -0.052 0.000 2.578 77 S HA 0.653 5.123 4.470 -0.001 0.000 0.283 77 S C 0.177 174.776 174.600 -0.003 0.000 1.195 77 S CA -0.109 58.072 58.200 -0.032 0.000 1.050 77 S CB 1.749 64.929 63.200 -0.034 0.000 1.012 77 S HN 1.418 nan 8.310 nan 0.000 0.511 78 V N -1.000 118.926 119.914 0.021 0.000 3.172 78 V HA 0.625 4.744 4.120 -0.001 0.000 0.343 78 V C 0.570 176.702 176.094 0.062 0.000 1.429 78 V CA 0.132 62.453 62.300 0.034 0.000 1.149 78 V CB 0.081 31.912 31.823 0.014 0.000 1.106 78 V HN 0.981 nan 8.190 nan 0.000 0.526 79 G N -0.321 108.531 108.800 0.087 0.000 3.774 79 G HA2 0.163 4.123 3.960 -0.001 0.000 0.287 79 G HA3 0.163 4.123 3.960 -0.001 0.000 0.287 79 G C 0.746 175.702 174.900 0.092 0.000 1.030 79 G CA 0.714 45.882 45.100 0.114 0.000 0.824 79 G HN 0.330 nan 8.290 nan 0.000 0.518 80 T N 0.084 114.671 114.554 0.055 0.000 3.052 80 T HA -0.060 4.289 4.350 -0.001 0.000 0.270 80 T C 1.989 176.597 174.700 -0.153 0.000 1.147 80 T CA 1.019 63.129 62.100 0.018 0.000 1.089 80 T CB 0.090 68.974 68.868 0.027 0.000 0.875 80 T HN 0.277 nan 8.240 nan 0.000 0.541 81 R N -0.760 119.604 120.500 -0.227 0.000 2.519 81 R HA 0.378 4.718 4.340 -0.001 0.000 0.375 81 R C 1.085 177.218 176.300 -0.277 0.000 0.926 81 R CA 0.530 56.245 56.100 -0.641 0.000 1.166 81 R CB 0.095 30.138 30.300 -0.430 0.000 1.626 81 R HN 0.274 nan 8.270 nan 0.000 0.529 82 G N 0.561 109.352 108.800 -0.014 0.000 2.582 82 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.288 82 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.288 82 G C 1.075 175.996 174.900 0.034 0.000 1.247 82 G CA 0.590 45.727 45.100 0.062 0.000 0.972 82 G HN 0.489 nan 8.290 nan 0.000 0.557 83 A N -0.536 122.310 122.820 0.044 0.000 2.042 83 A HA 0.171 4.491 4.320 -0.001 0.000 0.222 83 A C 2.099 179.713 177.584 0.049 0.000 1.167 83 A CA 2.678 54.735 52.037 0.033 0.000 0.649 83 A CB -0.821 18.191 19.000 0.020 0.000 0.809 83 A HN 2.265 nan 8.150 nan 0.000 0.457 84 S N -0.091 115.660 115.700 0.085 0.000 2.560 84 S HA 0.123 4.593 4.470 -0.001 0.000 0.284 84 S C 0.566 175.168 174.600 0.003 0.000 1.327 84 S CA -0.204 58.040 58.200 0.074 0.000 1.055 84 S CB 0.021 63.284 63.200 0.105 0.000 0.868 84 S HN 0.483 nan 8.310 nan 0.000 0.506 85 N N 2.621 121.294 118.700 -0.045 0.000 2.241 85 N HA 0.114 4.854 4.740 -0.001 0.000 0.238 85 N C 0.737 176.135 175.510 -0.187 0.000 1.244 85 N CA -0.023 52.978 53.050 -0.081 0.000 0.880 85 N CB 0.515 38.960 38.487 -0.071 0.000 1.179 85 N HN 0.563 nan 8.380 nan 0.000 0.513 86 T N 0.057 114.424 114.554 -0.311 0.000 2.803 86 T HA -0.091 4.258 4.350 -0.001 0.000 0.269 86 T C -0.175 174.010 174.700 -0.859 0.000 1.052 86 T CA 1.629 63.295 62.100 -0.723 0.000 1.136 86 T CB -0.032 68.133 68.868 -1.172 0.000 0.864 86 T HN 0.205 nan 8.240 nan 0.000 0.467 87 Y N -0.269 119.941 120.300 -0.150 0.000 2.534 87 Y HA 0.344 4.893 4.550 -0.001 0.000 0.345 87 Y C -0.752 175.135 175.900 -0.022 0.000 1.031 87 Y CA -2.012 56.039 58.100 -0.081 0.000 1.022 87 Y CB 1.291 39.724 38.460 -0.046 0.000 1.292 87 Y HN -0.140 nan 8.280 nan 0.000 0.459 88 D N 1.471 121.959 120.400 0.147 0.000 2.741 88 D HA -0.002 4.638 4.640 -0.001 0.000 0.233 88 D C -0.381 175.968 176.300 0.081 0.000 1.160 88 D CA 0.166 54.208 54.000 0.070 0.000 1.003 88 D CB -0.221 40.582 40.800 0.006 0.000 1.064 88 D HN 0.469 nan 8.370 nan 0.000 0.503 89 H N 2.445 121.533 119.070 0.031 0.000 2.705 89 H HA 0.294 4.849 4.556 -0.001 0.000 0.291 89 H C -0.713 174.599 175.328 -0.026 0.000 1.085 89 H CA -0.152 55.890 56.048 -0.010 0.000 1.357 89 H CB 0.326 30.084 29.762 -0.006 0.000 1.419 89 H HN 0.153 nan 8.280 nan 0.000 0.462 90 L N 5.830 126.921 121.223 -0.220 0.000 2.333 90 L HA 0.488 4.827 4.340 -0.001 0.000 0.269 90 L C 0.077 176.840 176.870 -0.177 0.000 1.010 90 L CA -1.042 53.732 54.840 -0.110 0.000 0.818 90 L CB 2.242 44.238 42.059 -0.104 0.000 1.306 90 L HN 0.478 nan 8.230 nan 0.000 0.430 91 I N 2.831 123.363 120.570 -0.063 0.000 2.362 91 I HA 0.416 4.585 4.170 -0.001 0.000 0.289 91 I C -0.647 175.422 176.117 -0.079 0.000 0.994 91 I CA -0.304 60.956 61.300 -0.067 0.000 1.158 91 I CB 1.712 39.692 38.000 -0.034 0.000 1.315 91 I HN 0.399 nan 8.210 nan 0.000 0.451 92 I N 6.220 126.743 120.570 -0.078 0.000 2.378 92 I HA 0.371 4.541 4.170 -0.001 0.000 0.291 92 I C 0.623 176.712 176.117 -0.047 0.000 0.992 92 I CA -0.796 60.456 61.300 -0.080 0.000 1.154 92 I CB 1.417 39.354 38.000 -0.104 0.000 1.315 92 I HN 0.567 nan 8.210 nan 0.000 0.448 93 R N 4.398 124.854 120.500 -0.074 0.000 3.627 93 R HA -0.225 4.115 4.340 -0.001 0.000 0.281 93 R C 0.899 177.182 176.300 -0.028 0.000 1.140 93 R CA 0.984 57.060 56.100 -0.041 0.000 0.761 93 R CB -1.522 28.703 30.300 -0.125 0.000 1.181 93 R HN 1.218 nan 8.270 nan 0.000 0.472 94 G N -3.150 105.547 108.800 -0.172 0.000 2.179 94 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.260 94 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.260 94 G C 0.100 174.584 174.900 -0.693 0.000 0.977 94 G CA 0.338 45.178 45.100 -0.434 0.000 0.641 94 G HN 0.328 nan 8.290 nan 0.000 0.533 95 F N 0.479 120.358 119.950 -0.118 0.000 2.579 95 F HA 0.853 5.380 4.527 -0.001 0.000 0.324 95 F C 0.439 176.163 175.800 -0.126 0.000 1.058 95 F CA -0.261 57.667 58.000 -0.120 0.000 0.944 95 F CB 2.305 41.227 39.000 -0.128 0.000 1.245 95 F HN 0.466 nan 8.300 nan 0.000 0.477 96 A N 0.520 123.397 122.820 0.095 0.000 2.609 96 A HA 0.828 5.148 4.320 -0.001 0.000 0.291 96 A C -1.277 176.290 177.584 -0.028 0.000 1.096 96 A CA -0.635 51.377 52.037 -0.042 0.000 0.684 96 A CB 0.673 19.627 19.000 -0.076 0.000 1.282 96 A HN 1.127 nan 8.150 nan 0.000 0.412 97 A N 0.761 123.522 122.820 -0.097 0.000 2.483 97 A HA 0.490 4.809 4.320 -0.001 0.000 0.238 97 A C 0.302 177.876 177.584 -0.016 0.000 1.070 97 A CA -0.048 51.947 52.037 -0.070 0.000 0.770 97 A CB -0.134 18.805 19.000 -0.102 0.000 1.008 97 A HN 0.689 nan 8.150 nan 0.000 0.497 98 E N 0.459 120.657 120.200 -0.004 0.000 2.398 98 E HA 0.346 4.695 4.350 -0.001 0.000 0.263 98 E C 0.935 177.547 176.600 0.020 0.000 1.046 98 E CA 1.025 57.439 56.400 0.024 0.000 0.908 98 E CB 0.433 30.154 29.700 0.035 0.000 0.963 98 E HN 1.523 nan 8.360 nan 0.000 0.431 99 G N 2.685 111.500 108.800 0.025 0.000 2.212 99 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.255 99 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.255 99 G C 0.400 175.277 174.900 -0.039 0.000 1.062 99 G CA 0.318 45.420 45.100 0.005 0.000 0.815 99 G HN 0.474 nan 8.290 nan 0.000 0.497 100 Q N -1.914 117.880 119.800 -0.010 0.000 2.461 100 Q HA -0.211 4.129 4.340 -0.001 0.000 0.273 100 Q C 0.679 176.692 176.000 0.022 0.000 1.163 100 Q CA 1.576 57.383 55.803 0.006 0.000 0.929 100 Q CB -1.697 26.950 28.738 -0.153 0.000 1.334 100 Q HN 1.220 nan 8.270 nan 0.000 0.499 101 S N -0.609 115.087 115.700 -0.006 0.000 2.585 101 S HA 0.397 4.866 4.470 -0.001 0.000 0.277 101 S C 0.395 174.931 174.600 -0.107 0.000 1.241 101 S CA -0.482 57.672 58.200 -0.078 0.000 1.041 101 S CB 1.042 64.197 63.200 -0.075 0.000 0.987 101 S HN 0.281 nan 8.310 nan 0.000 0.512 102 Q N 1.625 121.343 119.800 -0.138 0.000 2.526 102 Q HA 0.242 4.581 4.340 -0.001 0.000 0.207 102 Q C -0.419 175.483 176.000 -0.164 0.000 1.078 102 Q CA -0.130 55.572 55.803 -0.169 0.000 1.041 102 Q CB 0.244 28.914 28.738 -0.113 0.000 1.228 102 Q HN 0.670 nan 8.270 nan 0.000 0.603 103 N N 0.277 118.886 118.700 -0.153 0.000 2.666 103 N HA 0.133 4.872 4.740 -0.001 0.000 0.253 103 N C -1.975 173.508 175.510 -0.044 0.000 1.621 103 N CA -0.135 52.852 53.050 -0.104 0.000 0.785 103 N CB 0.215 38.636 38.487 -0.110 0.000 1.332 103 N HN 0.342 nan 8.380 nan 0.000 0.514 104 N N 0.854 119.502 118.700 -0.087 0.000 2.372 104 N HA 0.331 5.071 4.740 -0.001 0.000 0.291 104 N C -1.307 174.141 175.510 -0.104 0.000 1.024 104 N CA -0.084 52.936 53.050 -0.050 0.000 0.873 104 N CB 0.786 39.219 38.487 -0.091 0.000 1.206 104 N HN 0.179 nan 8.380 nan 0.000 0.486 105 Y N 0.558 120.733 120.300 -0.208 0.000 2.446 105 Y HA 0.590 5.139 4.550 -0.000 0.000 0.338 105 Y C -0.164 175.632 175.900 -0.173 0.000 1.055 105 Y CA -1.081 56.898 58.100 -0.201 0.000 1.101 105 Y CB 1.547 39.848 38.460 -0.266 0.000 1.221 105 Y HN 0.347 nan 8.280 nan 0.000 0.460 106 L N 3.783 124.986 121.223 -0.033 0.000 2.404 106 L HA 0.499 4.839 4.340 -0.001 0.000 0.272 106 L C -0.596 176.249 176.870 -0.042 0.000 0.980 106 L CA -0.453 54.341 54.840 -0.077 0.000 0.836 106 L CB 0.890 42.852 42.059 -0.161 0.000 1.238 106 L HN 0.740 nan 8.230 nan 0.000 0.408 107 N N 4.123 122.820 118.700 -0.006 0.000 2.725 107 N HA -0.203 4.537 4.740 -0.001 0.000 0.249 107 N C 0.913 176.475 175.510 0.087 0.000 1.103 107 N CA 1.390 54.459 53.050 0.033 0.000 0.707 107 N CB -1.294 37.173 38.487 -0.033 0.000 1.043 107 N HN 1.337 nan 8.380 nan 0.000 0.553 108 G N -1.600 107.289 108.800 0.148 0.000 2.176 108 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.253 108 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.253 108 G C -0.139 174.936 174.900 0.291 0.000 0.979 108 G CA 0.506 45.756 45.100 0.250 0.000 0.641 108 G HN 0.405 nan 8.290 nan 0.000 0.530 109 L N 0.194 121.515 121.223 0.163 0.000 2.362 109 L HA 0.543 4.883 4.340 -0.001 0.000 0.275 109 L C 0.442 177.204 176.870 -0.180 0.000 0.998 109 L CA -1.090 53.774 54.840 0.040 0.000 0.820 109 L CB 2.004 44.010 42.059 -0.088 0.000 1.270 109 L HN 0.147 nan 8.230 nan 0.000 0.415 110 K N 2.693 122.779 120.400 -0.523 0.000 2.350 110 K HA 0.271 4.591 4.320 -0.001 0.000 0.279 110 K C -0.410 175.858 176.600 -0.553 0.000 1.027 110 K CA -0.287 55.345 56.287 -1.091 0.000 0.969 110 K CB 0.638 32.344 32.500 -1.322 0.000 0.954 110 K HN 0.567 nan 8.250 nan 0.000 0.474 111 L N 5.254 126.189 121.223 -0.479 0.000 2.466 111 L HA 0.092 4.432 4.340 -0.001 0.000 0.248 111 L C 0.237 176.950 176.870 -0.262 0.000 1.240 111 L CA -0.418 54.245 54.840 -0.295 0.000 1.180 111 L CB 0.371 42.294 42.059 -0.226 0.000 1.413 111 L HN 0.580 nan 8.230 nan 0.000 0.406 112 Q N 1.870 121.515 119.800 -0.260 0.000 2.244 112 Q HA 0.131 4.471 4.340 -0.001 0.000 0.276 112 Q C 0.361 176.287 176.000 -0.124 0.000 1.122 112 Q CA 0.212 55.899 55.803 -0.193 0.000 0.920 112 Q CB 1.302 29.939 28.738 -0.169 0.000 1.186 112 Q HN 0.594 nan 8.270 nan 0.000 0.393 113 G N 2.699 111.439 108.800 -0.101 0.000 2.705 113 G HA2 0.528 4.488 3.960 -0.001 0.000 0.299 113 G HA3 0.528 4.488 3.960 -0.001 0.000 0.299 113 G C -0.657 174.228 174.900 -0.024 0.000 1.315 113 G CA -0.447 44.623 45.100 -0.050 0.000 1.045 113 G HN 0.641 nan 8.290 nan 0.000 0.517 114 N N -1.176 117.538 118.700 0.024 0.000 2.516 114 N HA 0.277 5.017 4.740 -0.001 0.000 0.268 114 N C -0.286 175.331 175.510 0.178 0.000 1.096 114 N CA -0.402 52.693 53.050 0.075 0.000 0.954 114 N CB 1.711 40.244 38.487 0.076 0.000 1.676 114 N HN 0.454 nan 8.380 nan 0.000 0.490 115 F N 2.182 122.087 119.950 -0.075 0.000 2.192 115 F HA -0.400 4.127 4.527 -0.001 0.000 0.317 115 F C 0.350 176.013 175.800 -0.227 0.000 1.454 115 F CA 1.655 59.565 58.000 -0.150 0.000 0.932 115 F CB -0.903 38.095 39.000 -0.002 0.000 4.108 115 F HN 0.681 nan 8.300 nan 0.000 0.138 116 Y N 0.332 120.655 120.300 0.039 0.000 2.502 116 Y HA 0.189 4.739 4.550 -0.001 0.000 0.295 116 Y C 1.253 177.250 175.900 0.163 0.000 1.193 116 Y CA 0.726 58.849 58.100 0.037 0.000 1.295 116 Y CB -0.530 37.987 38.460 0.095 0.000 1.059 116 Y HN 0.195 nan 8.280 nan 0.000 0.514 117 N N 1.567 120.411 118.700 0.241 0.000 3.322 117 N HA 0.029 4.769 4.740 -0.001 0.000 0.290 117 N C -1.359 174.219 175.510 0.113 0.000 1.297 117 N CA 0.167 53.334 53.050 0.196 0.000 1.167 117 N CB -0.219 38.366 38.487 0.164 0.000 1.434 117 N HN 0.114 nan 8.380 nan 0.000 0.526 118 D N 0.181 120.672 120.400 0.152 0.000 2.362 118 D HA 0.429 5.069 4.640 -0.001 0.000 0.247 118 D C -0.496 175.907 176.300 0.172 0.000 1.050 118 D CA -0.360 53.690 54.000 0.083 0.000 0.839 118 D CB 2.167 42.932 40.800 -0.057 0.000 1.283 118 D HN 0.295 nan 8.370 nan 0.000 0.477 119 A N 1.396 124.256 122.820 0.067 0.000 2.282 119 A HA 0.717 5.036 4.320 -0.001 0.000 0.319 119 A C -0.231 177.367 177.584 0.023 0.000 1.121 119 A CA -0.550 51.515 52.037 0.048 0.000 0.836 119 A CB 1.033 20.033 19.000 -0.000 0.000 1.146 119 A HN 0.385 nan 8.150 nan 0.000 0.494 120 V N -0.534 119.388 119.914 0.015 0.000 2.789 120 V HA 0.733 4.853 4.120 -0.001 0.000 0.311 120 V C -0.953 175.114 176.094 -0.045 0.000 1.073 120 V CA -0.912 61.373 62.300 -0.024 0.000 0.921 120 V CB 1.628 33.438 31.823 -0.021 0.000 1.009 120 V HN 0.632 nan 8.190 nan 0.000 0.426 121 I N 2.761 123.239 120.570 -0.154 0.000 2.377 121 I HA 0.451 4.620 4.170 -0.001 0.000 0.293 121 I C 0.217 176.257 176.117 -0.127 0.000 0.987 121 I CA -0.098 61.002 61.300 -0.332 0.000 1.185 121 I CB 1.478 39.148 38.000 -0.551 0.000 1.341 121 I HN 0.871 nan 8.210 nan 0.000 0.455 122 D N 8.240 128.661 120.400 0.035 0.000 2.424 122 D HA 0.088 4.727 4.640 -0.001 0.000 0.244 122 D C -1.460 174.845 176.300 0.008 0.000 1.134 122 D CA -1.128 52.907 54.000 0.059 0.000 0.881 122 D CB 1.979 42.868 40.800 0.147 0.000 1.191 122 D HN 0.284 nan 8.370 nan 0.000 0.445 123 P HA -0.161 nan 4.420 nan 0.000 0.222 123 P C 0.721 178.049 177.300 0.046 0.000 1.147 123 P CA 0.656 63.751 63.100 -0.008 0.000 0.790 123 P CB 0.077 31.765 31.700 -0.021 0.000 0.780 127 E N 0.458 120.611 120.200 -0.079 0.000 2.372 127 E HA 0.219 4.569 4.350 -0.001 0.000 0.201 127 E C -0.495 176.071 176.600 -0.057 0.000 0.938 127 E CA 0.160 56.523 56.400 -0.063 0.000 0.944 127 E CB 0.816 30.490 29.700 -0.043 0.000 0.937 127 E HN 0.511 nan 8.360 nan 0.000 0.495 128 R N -0.955 119.508 120.500 -0.062 0.000 2.725 128 R HA 0.608 4.948 4.340 -0.001 0.000 0.254 128 R C -1.717 174.538 176.300 -0.074 0.000 1.076 128 R CA -0.712 55.348 56.100 -0.066 0.000 0.940 128 R CB 0.748 31.009 30.300 -0.066 0.000 1.260 128 R HN -0.014 nan 8.270 nan 0.000 0.466 129 A N 2.345 125.117 122.820 -0.080 0.000 2.304 129 A HA 0.545 4.865 4.320 -0.001 0.000 0.314 129 A C -0.680 176.849 177.584 -0.091 0.000 1.187 129 A CA -0.659 51.326 52.037 -0.086 0.000 0.810 129 A CB 1.078 20.027 19.000 -0.084 0.000 1.183 129 A HN 0.738 nan 8.150 nan 0.000 0.487 130 E N 1.906 122.045 120.200 -0.102 0.000 2.207 130 E HA 0.621 4.971 4.350 -0.001 0.000 0.270 130 E C -0.747 175.774 176.600 -0.131 0.000 0.927 130 E CA -0.678 55.654 56.400 -0.115 0.000 0.799 130 E CB 1.866 31.491 29.700 -0.126 0.000 1.172 130 E HN 0.526 nan 8.360 nan 0.000 0.404 134 G N 2.114 110.751 108.800 -0.271 0.000 2.757 134 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.638 134 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.638 134 G C -2.816 171.921 174.900 -0.273 0.000 1.344 134 G CA -1.205 43.727 45.100 -0.279 0.000 0.855 134 G HN 0.383 nan 8.290 nan 0.000 0.537 135 P HA 0.268 nan 4.420 nan 0.000 0.264 135 P C 0.973 178.115 177.300 -0.263 0.000 1.183 135 P CA 0.946 63.864 63.100 -0.302 0.000 0.763 135 P CB 0.809 32.288 31.700 -0.368 0.000 0.807 136 V N -0.441 119.336 119.914 -0.230 0.000 3.330 136 V HA 0.122 4.242 4.120 -0.001 0.000 0.309 136 V C 1.242 177.281 176.094 -0.091 0.000 1.481 136 V CA 0.456 62.660 62.300 -0.160 0.000 1.068 136 V CB -0.102 31.593 31.823 -0.215 0.000 0.935 136 V HN 0.264 nan 8.190 nan 0.000 0.453 137 S N 0.728 116.341 115.700 -0.144 0.000 2.423 137 S HA -0.091 4.379 4.470 -0.001 0.000 0.231 137 S C 1.804 176.343 174.600 -0.101 0.000 1.014 137 S CA 1.554 59.700 58.200 -0.091 0.000 0.965 137 S CB 0.225 63.403 63.200 -0.037 0.000 0.785 137 S HN 0.510 nan 8.310 nan 0.000 0.495 138 V N 0.901 120.717 119.914 -0.163 0.000 2.944 138 V HA -0.047 4.073 4.120 -0.001 0.000 0.265 138 V C 1.149 177.108 176.094 -0.226 0.000 1.125 138 V CA 1.554 63.750 62.300 -0.173 0.000 1.145 138 V CB -0.273 31.440 31.823 -0.184 0.000 0.725 138 V HN 0.501 nan 8.190 nan 0.000 0.510 139 L N -3.191 117.817 121.223 -0.358 0.000 3.227 139 L HA 0.231 4.570 4.340 -0.001 0.000 0.287 139 L C 0.997 177.279 176.870 -0.979 0.000 1.161 139 L CA 0.107 54.478 54.840 -0.783 0.000 1.048 139 L CB 0.518 42.059 42.059 -0.863 0.000 1.541 139 L HN 0.257 nan 8.230 nan 0.000 0.590 140 Y N -0.157 119.969 120.300 -0.289 0.000 2.527 140 Y HA 0.541 5.091 4.550 -0.001 0.000 0.247 140 Y C 1.354 177.221 175.900 -0.056 0.000 1.138 140 Y CA 0.149 58.139 58.100 -0.183 0.000 1.228 140 Y CB 1.001 39.287 38.460 -0.290 0.000 1.252 140 Y HN 0.089 nan 8.280 nan 0.000 0.531 141 G N 1.744 110.583 108.800 0.064 0.000 2.568 141 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.222 141 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.222 141 G C -0.525 174.243 174.900 -0.219 0.000 1.321 141 G CA -0.583 44.580 45.100 0.104 0.000 0.893 141 G HN 0.361 nan 8.290 nan 0.000 0.569 142 K N -0.858 119.233 120.400 -0.514 0.000 2.550 142 K HA 0.446 4.766 4.320 -0.001 0.000 0.280 142 K C 0.075 176.354 176.600 -0.535 0.000 0.987 142 K CA 0.842 56.452 56.287 -1.127 0.000 1.048 142 K CB 0.794 32.901 32.500 -0.654 0.000 0.879 142 K HN 1.785 nan 8.250 nan 0.000 0.491 143 S N 1.706 117.079 115.700 -0.545 0.000 2.608 143 S HA 0.127 4.597 4.470 -0.001 0.000 0.285 143 S C -0.966 173.466 174.600 -0.280 0.000 1.108 143 S CA -0.580 57.440 58.200 -0.301 0.000 0.858 143 S CB 1.231 64.294 63.200 -0.229 0.000 1.077 143 S HN 0.863 nan 8.310 nan 0.000 0.450 144 S N 3.625 119.201 115.700 -0.206 0.000 2.559 144 S HA 0.344 4.814 4.470 -0.001 0.000 0.282 144 S C -2.177 172.279 174.600 -0.240 0.000 1.336 144 S CA -0.358 57.731 58.200 -0.186 0.000 1.037 144 S CB 0.079 63.203 63.200 -0.126 0.000 0.853 144 S HN 0.614 nan 8.310 nan 0.000 0.523 145 P HA 0.213 nan 4.420 nan 0.000 0.274 145 P C 0.362 177.465 177.300 -0.328 0.000 1.237 145 P CA 0.420 63.278 63.100 -0.403 0.000 0.793 145 P CB -0.059 31.253 31.700 -0.647 0.000 0.977 146 G N 0.540 109.161 108.800 -0.299 0.000 2.306 146 G HA2 0.093 4.053 3.960 -0.001 0.000 0.274 146 G HA3 0.093 4.053 3.960 -0.001 0.000 0.274 146 G C 0.399 175.194 174.900 -0.176 0.000 0.890 146 G CA 0.187 45.147 45.100 -0.234 0.000 1.298 146 G HN 0.953 nan 8.290 nan 0.000 0.445 147 G N -0.502 108.177 108.800 -0.201 0.000 1.834 147 G HA2 0.565 4.525 3.960 -0.001 0.000 0.247 147 G HA3 0.565 4.525 3.960 -0.001 0.000 0.247 147 G C -1.042 173.731 174.900 -0.211 0.000 1.691 147 G CA -0.170 44.821 45.100 -0.182 0.000 0.922 147 G HN 1.500 nan 8.290 nan 0.000 0.682 148 L N 2.774 123.853 121.223 -0.239 0.000 2.513 148 L HA 0.876 5.216 4.340 -0.001 0.000 0.261 148 L C -1.839 174.877 176.870 -0.257 0.000 0.945 148 L CA -1.242 53.421 54.840 -0.296 0.000 0.848 148 L CB 2.127 43.880 42.059 -0.511 0.000 1.334 148 L HN 0.671 nan 8.230 nan 0.000 0.407 149 L N 4.314 125.426 121.223 -0.185 0.000 2.333 149 L HA 0.658 4.998 4.340 -0.001 0.000 0.280 149 L C -0.996 175.800 176.870 -0.123 0.000 1.004 149 L CA 0.299 55.051 54.840 -0.146 0.000 0.820 149 L CB 1.527 43.524 42.059 -0.104 0.000 1.247 149 L HN 0.806 nan 8.230 nan 0.000 0.416 153 S N 3.014 118.674 115.700 -0.067 0.000 2.569 153 S HA 0.237 4.706 4.470 -0.001 0.000 0.274 153 S C 0.242 174.802 174.600 -0.067 0.000 1.353 153 S CA -0.192 57.953 58.200 -0.093 0.000 1.023 153 S CB 0.463 63.600 63.200 -0.105 0.000 0.876 153 S HN 0.628 nan 8.310 nan 0.000 0.540 154 K N 1.741 122.091 120.400 -0.084 0.000 2.298 154 K HA 0.255 4.574 4.320 -0.001 0.000 0.280 154 K C 0.006 176.576 176.600 -0.051 0.000 1.032 154 K CA -0.350 55.891 56.287 -0.076 0.000 0.958 154 K CB 0.449 32.877 32.500 -0.120 0.000 0.978 154 K HN 0.362 nan 8.250 nan 0.000 0.472 155 R N 2.326 122.806 120.500 -0.034 0.000 2.828 155 R HA 0.399 4.738 4.340 -0.001 0.000 0.264 155 R C -2.589 173.697 176.300 -0.023 0.000 1.022 155 R CA -2.741 53.346 56.100 -0.020 0.000 1.021 155 R CB 0.176 30.467 30.300 -0.014 0.000 1.163 155 R HN 0.402 nan 8.270 nan 0.000 0.494 156 P HA -0.049 nan 4.420 nan 0.000 0.264 156 P C -0.057 177.218 177.300 -0.041 0.000 1.183 156 P CA 0.598 63.674 63.100 -0.040 0.000 0.763 156 P CB 0.356 32.041 31.700 -0.025 0.000 0.807 157 T N -1.282 113.242 114.554 -0.050 0.000 2.849 157 T HA 0.165 4.515 4.350 -0.001 0.000 0.284 157 T C 1.498 176.185 174.700 -0.021 0.000 1.004 157 T CA 0.020 62.102 62.100 -0.030 0.000 1.021 157 T CB 0.339 69.194 68.868 -0.022 0.000 1.013 157 T HN 0.476 nan 8.240 nan 0.000 0.527 158 T N -1.876 112.672 114.554 -0.011 0.000 2.995 158 T HA 0.118 4.467 4.350 -0.001 0.000 0.269 158 T C 0.329 175.031 174.700 0.003 0.000 1.091 158 T CA 0.433 62.530 62.100 -0.005 0.000 1.128 158 T CB -0.347 68.519 68.868 -0.004 0.000 0.891 158 T HN 0.778 nan 8.240 nan 0.000 0.492 159 E N 0.884 121.088 120.200 0.007 0.000 2.393 159 E HA 0.491 4.841 4.350 -0.001 0.000 0.273 159 E C -3.018 173.595 176.600 0.023 0.000 0.918 159 E CA -2.958 53.453 56.400 0.019 0.000 0.773 159 E CB 1.843 31.557 29.700 0.023 0.000 1.275 159 E HN 0.045 nan 8.360 nan 0.000 0.451 160 P HA 0.027 nan 4.420 nan 0.000 0.266 160 P C -1.269 176.072 177.300 0.068 0.000 1.193 160 P CA -0.041 63.088 63.100 0.048 0.000 0.770 160 P CB 0.363 32.099 31.700 0.061 0.000 0.836 161 L N 2.718 123.996 121.223 0.092 0.000 2.516 161 L HA 0.442 4.782 4.340 -0.001 0.000 0.267 161 L C -1.101 175.939 176.870 0.283 0.000 0.957 161 L CA -0.141 54.791 54.840 0.154 0.000 0.860 161 L CB 1.630 43.758 42.059 0.116 0.000 1.265 161 L HN 0.165 nan 8.230 nan 0.000 0.403 162 K N 4.739 125.347 120.400 0.347 0.000 2.621 162 K HA 0.378 4.698 4.320 -0.001 0.000 0.233 162 K C -1.248 175.780 176.600 0.713 0.000 0.972 162 K CA -0.395 56.193 56.287 0.502 0.000 0.988 162 K CB 1.733 34.309 32.500 0.127 0.000 1.187 162 K HN 0.637 nan 8.250 nan 0.000 0.471 163 E N 2.555 123.247 120.200 0.821 0.000 2.212 163 E HA 0.438 4.787 4.350 -0.001 0.000 0.268 163 E C -1.306 175.593 176.600 0.498 0.000 0.902 163 E CA -0.889 55.845 56.400 0.556 0.000 0.779 163 E CB 1.733 31.613 29.700 0.300 0.000 1.172 163 E HN 0.116 nan 8.360 nan 0.000 0.409 164 V N 3.919 124.123 119.914 0.483 0.000 2.577 164 V HA 0.325 4.445 4.120 -0.001 0.000 0.303 164 V C -0.592 175.497 176.094 -0.008 0.000 1.042 164 V CA -0.760 61.700 62.300 0.267 0.000 0.872 164 V CB 1.683 33.778 31.823 0.454 0.000 0.998 164 V HN 0.726 nan 8.190 nan 0.000 0.423 165 Q N 2.822 122.433 119.800 -0.314 0.000 2.377 165 Q HA 0.756 5.095 4.340 -0.001 0.000 0.271 165 Q C -2.122 173.488 176.000 -0.649 0.000 1.077 165 Q CA -0.560 55.007 55.803 -0.394 0.000 0.820 165 Q CB 2.252 30.798 28.738 -0.320 0.000 1.347 165 Q HN 0.611 nan 8.270 nan 0.000 0.444 166 F N 1.543 121.478 119.950 -0.025 0.000 2.557 166 F HA 0.518 5.045 4.527 -0.001 0.000 0.316 166 F C -0.399 175.402 175.800 0.002 0.000 1.141 166 F CA -0.684 57.337 58.000 0.036 0.000 0.922 166 F CB 2.013 41.079 39.000 0.110 0.000 1.194 166 F HN 0.315 nan 8.300 nan 0.000 0.443 167 K N 1.979 122.500 120.400 0.202 0.000 2.328 167 K HA 0.972 5.291 4.320 -0.001 0.000 0.246 167 K C -1.288 175.391 176.600 0.132 0.000 0.955 167 K CA -1.228 55.120 56.287 0.101 0.000 0.817 167 K CB 2.692 35.192 32.500 0.000 0.000 1.208 167 K HN 0.674 nan 8.250 nan 0.000 0.432 168 A N 0.997 123.839 122.820 0.037 0.000 2.513 168 A HA 0.752 5.072 4.320 -0.001 0.000 0.296 168 A C -0.853 176.645 177.584 -0.143 0.000 1.052 168 A CA -0.297 51.690 52.037 -0.082 0.000 0.714 168 A CB 1.690 20.744 19.000 0.090 0.000 1.279 168 A HN 0.801 nan 8.150 nan 0.000 0.397 169 G N -0.176 108.455 108.800 -0.282 0.000 2.753 169 G HA2 0.641 4.601 3.960 -0.001 0.000 0.303 169 G HA3 0.641 4.601 3.960 -0.001 0.000 0.303 169 G C -0.269 174.513 174.900 -0.197 0.000 1.242 169 G CA 0.205 45.199 45.100 -0.177 0.000 0.810 169 G HN 0.904 nan 8.290 nan 0.000 0.515 170 T N 1.292 115.773 114.554 -0.122 0.000 2.791 170 T HA 0.260 4.610 4.350 -0.001 0.000 0.323 170 T C 0.034 174.662 174.700 -0.119 0.000 1.082 170 T CA 1.031 63.071 62.100 -0.100 0.000 1.084 170 T CB 0.123 68.953 68.868 -0.064 0.000 0.992 170 T HN 0.586 nan 8.240 nan 0.000 0.547 171 D N 0.611 120.958 120.400 -0.090 0.000 2.702 171 D HA -0.175 4.465 4.640 -0.001 0.000 0.233 171 D C 0.152 176.393 176.300 -0.098 0.000 1.164 171 D CA 1.063 55.017 54.000 -0.076 0.000 0.638 171 D CB -1.473 39.288 40.800 -0.066 0.000 1.041 171 D HN 0.737 nan 8.370 nan 0.000 0.422 172 S N -1.699 113.913 115.700 -0.147 0.000 3.711 172 S HA -0.249 4.220 4.470 -0.001 0.000 0.374 172 S C 0.195 174.560 174.600 -0.391 0.000 0.969 172 S CA 0.359 58.423 58.200 -0.227 0.000 1.198 172 S CB -0.862 62.349 63.200 0.017 0.000 0.903 172 S HN 0.507 nan 8.310 nan 0.000 0.493 173 L N 1.967 122.893 121.223 -0.495 0.000 2.313 173 L HA 0.741 5.081 4.340 -0.001 0.000 0.282 173 L C -0.702 175.786 176.870 -0.637 0.000 1.092 173 L CA 0.253 54.860 54.840 -0.389 0.000 0.831 173 L CB -0.099 41.821 42.059 -0.232 0.000 1.159 173 L HN 0.148 nan 8.230 nan 0.000 0.442 174 F N 4.376 124.339 119.950 0.020 0.000 2.539 174 F HA 0.536 5.063 4.527 -0.000 0.000 0.328 174 F C -0.100 175.728 175.800 0.046 0.000 1.148 174 F CA -0.449 57.579 58.000 0.047 0.000 0.940 174 F CB 1.614 40.649 39.000 0.058 0.000 1.194 174 F HN 0.523 nan 8.300 nan 0.000 0.438 175 Q N 1.895 121.828 119.800 0.223 0.000 2.305 175 Q HA 0.543 4.882 4.340 -0.001 0.000 0.271 175 Q C -1.474 174.612 176.000 0.142 0.000 1.046 175 Q CA -0.517 55.361 55.803 0.125 0.000 0.798 175 Q CB 2.548 31.287 28.738 0.000 0.000 1.286 175 Q HN 0.660 nan 8.270 nan 0.000 0.435 176 T N 1.911 116.540 114.554 0.126 0.000 2.840 176 T HA 0.836 5.186 4.350 -0.001 0.000 0.287 176 T C -0.886 173.816 174.700 0.003 0.000 0.991 176 T CA -0.177 61.974 62.100 0.086 0.000 0.964 176 T CB 1.000 70.028 68.868 0.267 0.000 0.954 176 T HN 0.699 nan 8.240 nan 0.000 0.438 177 G N 3.627 112.346 108.800 -0.135 0.000 2.696 177 G HA2 0.731 4.690 3.960 -0.001 0.000 0.295 177 G HA3 0.731 4.690 3.960 -0.001 0.000 0.295 177 G C -1.446 173.461 174.900 0.012 0.000 1.398 177 G CA -0.905 44.157 45.100 -0.064 0.000 0.920 177 G HN 0.760 nan 8.290 nan 0.000 0.492 178 F N -0.527 119.399 119.950 -0.040 0.000 2.611 178 F HA 0.872 5.399 4.527 -0.000 0.000 0.324 178 F C -1.269 174.332 175.800 -0.331 0.000 1.061 178 F CA -1.748 56.077 58.000 -0.291 0.000 0.954 178 F CB 2.773 41.401 39.000 -0.619 0.000 1.301 178 F HN 0.367 nan 8.300 nan 0.000 0.482 179 D N 1.769 121.878 120.400 -0.484 0.000 2.319 179 D HA 0.337 4.977 4.640 -0.001 0.000 0.237 179 D C -1.950 174.282 176.300 -0.114 0.000 1.353 179 D CA -0.122 53.650 54.000 -0.380 0.000 0.992 179 D CB 0.602 41.204 40.800 -0.330 0.000 1.368 179 D HN 0.345 nan 8.370 nan 0.000 0.564 180 F N 1.089 121.170 119.950 0.218 0.000 2.480 180 F HA 0.716 5.243 4.527 -0.001 0.000 0.329 180 F C 0.538 176.324 175.800 -0.024 0.000 1.091 180 F CA -1.306 56.794 58.000 0.167 0.000 0.972 180 F CB 2.246 41.420 39.000 0.290 0.000 1.150 180 F HN 0.082 nan 8.300 nan 0.000 0.467 181 S N 1.928 117.653 115.700 0.041 0.000 2.626 181 S HA 0.528 4.997 4.470 -0.001 0.000 0.275 181 S C -1.855 172.561 174.600 -0.308 0.000 1.175 181 S CA -0.457 57.539 58.200 -0.340 0.000 0.982 181 S CB 0.990 64.093 63.200 -0.162 0.000 1.093 181 S HN 0.703 nan 8.310 nan 0.000 0.472 182 D N 1.247 121.301 120.400 -0.578 0.000 2.626 182 D HA 0.540 5.180 4.640 -0.001 0.000 0.278 182 D C -0.987 175.358 176.300 0.076 0.000 1.211 182 D CA -0.260 53.687 54.000 -0.087 0.000 0.903 182 D CB 2.559 43.455 40.800 0.159 0.000 1.408 182 D HN 0.462 nan 8.370 nan 0.000 0.454 183 S N 0.376 116.178 115.700 0.171 0.000 2.565 183 S HA 0.375 4.844 4.470 -0.001 0.000 0.290 183 S C 1.427 176.201 174.600 0.289 0.000 1.150 183 S CA -0.557 57.777 58.200 0.224 0.000 1.058 183 S CB 1.409 64.692 63.200 0.138 0.000 1.032 183 S HN 0.335 nan 8.310 nan 0.000 0.510 184 L N 1.151 122.577 121.223 0.338 0.000 2.270 184 L HA 0.114 4.454 4.340 -0.001 0.000 0.210 184 L C 0.830 177.843 176.870 0.239 0.000 1.104 184 L CA 0.667 55.681 54.840 0.291 0.000 0.804 184 L CB -0.101 42.151 42.059 0.322 0.000 0.937 184 L HN 0.684 nan 8.230 nan 0.000 0.450 185 D N -2.300 118.253 120.400 0.255 0.000 2.450 185 D HA 0.088 4.728 4.640 -0.001 0.000 0.238 185 D C -0.318 176.062 176.300 0.134 0.000 1.020 185 D CA -0.512 53.608 54.000 0.199 0.000 1.010 185 D CB 1.284 42.232 40.800 0.247 0.000 1.342 185 D HN -0.183 nan 8.370 nan 0.000 0.530 186 D N -0.343 120.117 120.400 0.100 0.000 2.347 186 D HA -0.051 4.589 4.640 -0.001 0.000 0.215 186 D C 0.486 176.816 176.300 0.051 0.000 0.976 186 D CA 0.632 54.674 54.000 0.071 0.000 0.884 186 D CB 0.256 41.091 40.800 0.059 0.000 0.915 186 D HN 0.395 nan 8.370 nan 0.000 0.526 187 D N -0.149 120.279 120.400 0.046 0.000 2.350 187 D HA 0.085 4.725 4.640 -0.001 0.000 0.213 187 D C 1.392 177.689 176.300 -0.005 0.000 1.031 187 D CA 0.324 54.333 54.000 0.014 0.000 0.861 187 D CB 0.871 41.672 40.800 0.002 0.000 0.926 187 D HN 0.197 nan 8.370 nan 0.000 0.520 188 G N 1.672 110.483 108.800 0.019 0.000 2.160 188 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.251 188 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.251 188 G C 1.062 175.932 174.900 -0.050 0.000 1.008 188 G CA 0.531 45.635 45.100 0.006 0.000 0.724 188 G HN 0.374 nan 8.290 nan 0.000 0.514 189 V N -1.210 118.635 119.914 -0.115 0.000 2.719 189 V HA 0.330 4.449 4.120 -0.001 0.000 0.252 189 V C 0.653 176.558 176.094 -0.315 0.000 1.065 189 V CA 1.247 63.373 62.300 -0.291 0.000 1.086 189 V CB -0.175 31.372 31.823 -0.460 0.000 0.700 189 V HN 0.416 nan 8.190 nan 0.000 0.467 190 Y N 0.897 121.292 120.300 0.158 0.000 2.338 190 Y HA 0.674 5.223 4.550 -0.000 0.000 0.328 190 Y C 0.200 176.163 175.900 0.105 0.000 0.965 190 Y CA -0.681 57.500 58.100 0.135 0.000 1.208 190 Y CB 1.623 40.253 38.460 0.284 0.000 1.132 190 Y HN 0.187 nan 8.280 nan 0.000 0.469 191 S N 2.432 118.189 115.700 0.096 0.000 2.627 191 S HA 0.888 5.358 4.470 -0.001 0.000 0.283 191 S C -1.390 173.341 174.600 0.218 0.000 1.127 191 S CA -0.787 57.514 58.200 0.169 0.000 0.863 191 S CB 2.308 65.535 63.200 0.046 0.000 1.121 191 S HN 0.597 nan 8.310 nan 0.000 0.479 192 Y N -0.791 119.624 120.300 0.191 0.000 2.715 192 Y HA 0.862 5.412 4.550 -0.000 0.000 0.331 192 Y C -0.849 175.183 175.900 0.220 0.000 1.197 192 Y CA -1.332 56.941 58.100 0.288 0.000 1.079 192 Y CB 1.184 39.895 38.460 0.418 0.000 1.298 192 Y HN 1.037 nan 8.280 nan 0.000 0.477 193 R N 1.729 122.335 120.500 0.177 0.000 2.572 193 R HA 0.578 4.917 4.340 -0.001 0.000 0.273 193 R C -2.762 173.699 176.300 0.269 0.000 1.168 193 R CA -0.667 55.464 56.100 0.052 0.000 1.021 193 R CB 1.551 31.850 30.300 -0.003 0.000 1.249 193 R HN 0.865 nan 8.270 nan 0.000 0.423 194 L N 3.487 124.908 121.223 0.329 0.000 2.319 194 L HA 0.573 4.912 4.340 -0.001 0.000 0.281 194 L C -1.252 175.664 176.870 0.075 0.000 1.005 194 L CA 0.135 55.179 54.840 0.341 0.000 0.828 194 L CB 2.144 44.552 42.059 0.582 0.000 1.227 194 L HN 0.653 nan 8.230 nan 0.000 0.415 195 T N 3.685 118.157 114.554 -0.137 0.000 2.807 195 T HA 0.879 5.229 4.350 -0.001 0.000 0.279 195 T C -0.081 174.271 174.700 -0.580 0.000 0.993 195 T CA -0.482 61.332 62.100 -0.475 0.000 0.970 195 T CB 1.525 70.172 68.868 -0.368 0.000 0.950 195 T HN 0.815 nan 8.240 nan 0.000 0.441 196 G N 1.793 109.935 108.800 -1.095 0.000 2.692 196 G HA2 0.756 4.716 3.960 -0.001 0.000 0.291 196 G HA3 0.756 4.716 3.960 -0.001 0.000 0.291 196 G C -1.956 172.733 174.900 -0.352 0.000 1.423 196 G CA -0.903 43.800 45.100 -0.661 0.000 0.843 196 G HN 0.869 nan 8.290 nan 0.000 0.486 197 L N -2.411 118.789 121.223 -0.038 0.000 2.710 197 L HA 0.967 5.306 4.340 -0.001 0.000 0.260 197 L C -0.659 176.289 176.870 0.129 0.000 0.993 197 L CA -1.433 53.433 54.840 0.043 0.000 0.877 197 L CB 1.519 43.584 42.059 0.009 0.000 1.461 197 L HN 1.402 nan 8.230 nan 0.000 0.413 198 A N 1.646 124.555 122.820 0.149 0.000 2.353 198 A HA 0.917 5.237 4.320 -0.001 0.000 0.299 198 A C -0.913 176.736 177.584 0.108 0.000 1.089 198 A CA -0.579 51.601 52.037 0.238 0.000 0.736 198 A CB 1.359 20.566 19.000 0.345 0.000 1.195 198 A HN 0.875 nan 8.150 nan 0.000 0.447 199 R N 1.757 122.248 120.500 -0.015 0.000 2.628 199 R HA 0.748 5.088 4.340 -0.001 0.000 0.288 199 R C -1.548 174.708 176.300 -0.073 0.000 0.980 199 R CA -0.078 56.005 56.100 -0.030 0.000 0.891 199 R CB 2.027 32.288 30.300 -0.066 0.000 1.188 199 R HN 0.752 nan 8.270 nan 0.000 0.450 200 S N 1.841 117.551 115.700 0.016 0.000 2.540 200 S HA 0.895 5.365 4.470 -0.001 0.000 0.275 200 S C -1.869 172.752 174.600 0.034 0.000 1.123 200 S CA 0.008 58.223 58.200 0.025 0.000 0.907 200 S CB 1.774 65.041 63.200 0.111 0.000 1.081 200 S HN 0.927 nan 8.310 nan 0.000 0.476 201 A N 3.303 126.125 122.820 0.004 0.000 2.567 201 A HA 0.584 4.904 4.320 -0.001 0.000 0.291 201 A C -1.601 175.974 177.584 -0.016 0.000 1.048 201 A CA -0.964 51.060 52.037 -0.021 0.000 0.661 201 A CB 0.734 19.698 19.000 -0.060 0.000 1.288 201 A HN 0.806 nan 8.150 nan 0.000 0.424 202 N N 0.269 118.955 118.700 -0.023 0.000 2.456 202 N HA 0.568 5.308 4.740 -0.001 0.000 0.288 202 N C 0.260 175.753 175.510 -0.028 0.000 1.059 202 N CA -0.178 52.863 53.050 -0.016 0.000 0.946 202 N CB 1.789 40.269 38.487 -0.012 0.000 1.150 202 N HN 0.965 nan 8.380 nan 0.000 0.479 203 A N 1.185 123.994 122.820 -0.019 0.000 2.310 203 A HA -0.005 4.315 4.320 -0.001 0.000 0.260 203 A C 1.293 178.850 177.584 -0.045 0.000 1.112 203 A CA -0.040 51.984 52.037 -0.021 0.000 0.804 203 A CB 0.351 19.359 19.000 0.013 0.000 1.081 203 A HN 0.869 nan 8.150 nan 0.000 0.499 204 Q N -0.596 119.169 119.800 -0.060 0.000 2.079 204 Q HA -0.135 4.205 4.340 -0.001 0.000 0.200 204 Q C 0.111 176.036 176.000 -0.124 0.000 0.974 204 Q CA 1.164 56.911 55.803 -0.092 0.000 0.840 204 Q CB -0.125 28.554 28.738 -0.099 0.000 0.898 204 Q HN 0.763 nan 8.270 nan 0.000 0.430 205 Q N 2.023 121.725 119.800 -0.163 0.000 2.296 205 Q HA 0.140 4.479 4.340 -0.001 0.000 0.262 205 Q C -0.691 175.243 176.000 -0.110 0.000 0.981 205 Q CA 0.108 55.785 55.803 -0.209 0.000 0.905 205 Q CB 0.670 29.157 28.738 -0.419 0.000 1.186 205 Q HN 0.082 nan 8.270 nan 0.000 0.399 206 K N 0.794 121.134 120.400 -0.099 0.000 2.511 206 K HA 0.047 4.367 4.320 -0.001 0.000 0.280 206 K C 0.982 177.563 176.600 -0.032 0.000 1.008 206 K CA 1.233 57.486 56.287 -0.056 0.000 1.050 206 K CB 0.153 32.622 32.500 -0.051 0.000 0.889 206 K HN 0.990 nan 8.250 nan 0.000 0.484 207 G N 2.016 110.812 108.800 -0.007 0.000 2.299 207 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.237 207 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.237 207 G C 0.075 174.993 174.900 0.029 0.000 1.027 207 G CA 0.095 45.204 45.100 0.015 0.000 0.619 207 G HN 0.538 nan 8.290 nan 0.000 0.513 208 S N 1.363 117.082 115.700 0.031 0.000 2.525 208 S HA 0.611 5.081 4.470 -0.001 0.000 0.278 208 S C -0.019 174.596 174.600 0.025 0.000 1.234 208 S CA -0.309 57.919 58.200 0.048 0.000 1.058 208 S CB 1.667 64.924 63.200 0.095 0.000 0.983 208 S HN 0.526 nan 8.310 nan 0.000 0.495 209 E N 1.368 121.579 120.200 0.019 0.000 2.281 209 E HA 0.493 4.842 4.350 -0.001 0.000 0.262 209 E C -1.029 175.559 176.600 -0.020 0.000 0.933 209 E CA -0.807 55.595 56.400 0.003 0.000 0.809 209 E CB 1.609 31.315 29.700 0.010 0.000 1.242 209 E HN 0.515 nan 8.360 nan 0.000 0.418 210 E N 1.105 121.282 120.200 -0.037 0.000 2.246 210 E HA 0.275 4.625 4.350 -0.001 0.000 0.266 210 E C -1.352 175.192 176.600 -0.093 0.000 0.880 210 E CA -0.450 55.907 56.400 -0.071 0.000 0.762 210 E CB 1.913 31.569 29.700 -0.074 0.000 1.180 210 E HN 0.241 nan 8.360 nan 0.000 0.416 211 Q N 2.087 121.805 119.800 -0.138 0.000 2.331 211 Q HA 0.557 4.896 4.340 -0.001 0.000 0.272 211 Q C -1.093 174.701 176.000 -0.344 0.000 1.062 211 Q CA -0.785 54.873 55.803 -0.242 0.000 0.806 211 Q CB 3.201 31.814 28.738 -0.209 0.000 1.312 211 Q HN 0.273 nan 8.270 nan 0.000 0.431 212 R N 2.031 122.226 120.500 -0.508 0.000 2.548 212 R HA 0.468 4.807 4.340 -0.001 0.000 0.280 212 R C -1.961 174.023 176.300 -0.526 0.000 1.061 212 R CA -0.451 55.397 56.100 -0.420 0.000 0.915 212 R CB 1.234 31.420 30.300 -0.191 0.000 1.210 212 R HN 0.600 nan 8.270 nan 0.000 0.442 213 Y N 1.803 122.104 120.300 0.002 0.000 2.361 213 Y HA 0.759 5.309 4.550 -0.000 0.000 0.337 213 Y C -0.215 175.664 175.900 -0.034 0.000 0.965 213 Y CA -0.685 57.417 58.100 0.004 0.000 1.091 213 Y CB 2.483 40.953 38.460 0.015 0.000 1.182 213 Y HN 0.738 nan 8.280 nan 0.000 0.450 214 A N 3.693 126.562 122.820 0.083 0.000 2.574 214 A HA 0.847 5.167 4.320 -0.001 0.000 0.297 214 A C -1.900 175.639 177.584 -0.075 0.000 1.062 214 A CA -0.661 51.320 52.037 -0.093 0.000 0.686 214 A CB 1.637 20.526 19.000 -0.186 0.000 1.285 214 A HN 0.786 nan 8.150 nan 0.000 0.403 215 I N 0.986 121.479 120.570 -0.128 0.000 2.656 215 I HA 0.700 4.870 4.170 -0.001 0.000 0.292 215 I C -0.522 175.592 176.117 -0.005 0.000 1.144 215 I CA -0.675 60.614 61.300 -0.018 0.000 1.038 215 I CB 1.976 40.054 38.000 0.130 0.000 1.244 215 I HN 0.929 nan 8.210 nan 0.000 0.420 216 A N 8.313 131.155 122.820 0.037 0.000 2.399 216 A HA 0.749 5.069 4.320 -0.001 0.000 0.327 216 A C -2.819 174.842 177.584 0.128 0.000 1.367 216 A CA -1.503 50.594 52.037 0.101 0.000 0.842 216 A CB 0.279 19.360 19.000 0.135 0.000 1.142 216 A HN 0.383 nan 8.150 nan 0.000 0.495 217 P HA 0.516 nan 4.420 nan 0.000 0.287 217 P C -0.479 176.948 177.300 0.212 0.000 1.281 217 P CA 0.059 63.328 63.100 0.281 0.000 0.781 217 P CB 1.692 33.634 31.700 0.403 0.000 0.903 218 A N 3.501 126.499 122.820 0.297 0.000 2.449 218 A HA 0.785 5.105 4.320 -0.001 0.000 0.302 218 A C -1.794 176.100 177.584 0.517 0.000 1.048 218 A CA -0.499 51.706 52.037 0.280 0.000 0.708 218 A CB 0.989 20.069 19.000 0.133 0.000 1.274 218 A HN 0.432 nan 8.150 nan 0.000 0.410 219 F N 1.171 121.361 119.950 0.399 0.000 2.561 219 F HA 0.683 5.209 4.527 -0.000 0.000 0.313 219 F C -0.404 175.626 175.800 0.384 0.000 1.126 219 F CA 0.002 58.258 58.000 0.426 0.000 0.918 219 F CB 2.388 41.671 39.000 0.471 0.000 1.199 219 F HN 0.476 nan 8.300 nan 0.000 0.444 220 T N 5.138 119.488 114.554 -0.340 0.000 2.807 220 T HA 0.274 4.624 4.350 -0.001 0.000 0.279 220 T C -2.056 172.501 174.700 -0.238 0.000 0.993 220 T CA -0.240 61.758 62.100 -0.170 0.000 0.970 220 T CB 0.912 69.737 68.868 -0.073 0.000 0.950 220 T HN 0.538 nan 8.240 nan 0.000 0.441 221 W N 4.423 125.656 121.300 -0.112 0.000 2.475 221 W HA 0.540 5.200 4.660 -0.000 0.000 0.320 221 W C -0.799 175.722 176.519 0.003 0.000 1.022 221 W CA -1.475 55.865 57.345 -0.008 0.000 1.240 221 W CB 0.749 30.367 29.460 0.264 0.000 1.328 221 W HN 0.495 nan 8.180 nan 0.000 0.439 222 R N 7.147 127.485 120.500 -0.269 0.000 2.505 222 R HA 0.206 4.546 4.340 -0.001 0.000 0.284 222 R C -1.841 174.138 176.300 -0.535 0.000 1.324 222 R CA -1.485 54.377 56.100 -0.396 0.000 1.432 222 R CB 1.147 31.310 30.300 -0.228 0.000 1.107 222 R HN 0.217 nan 8.270 nan 0.000 0.587 223 P HA -0.217 nan 4.420 nan 0.000 0.218 223 P C -0.520 176.597 177.300 -0.305 0.000 1.146 223 P CA 1.559 64.313 63.100 -0.577 0.000 0.813 223 P CB 0.262 31.540 31.700 -0.704 0.000 0.778 224 D N -3.710 116.502 120.400 -0.313 0.000 3.145 224 D HA 0.080 4.720 4.640 -0.001 0.000 0.345 224 D C -0.779 175.391 176.300 -0.217 0.000 1.391 224 D CA -0.638 53.234 54.000 -0.213 0.000 0.930 224 D CB -0.576 40.115 40.800 -0.181 0.000 1.451 224 D HN -0.198 nan 8.370 nan 0.000 0.555 225 D N -1.587 118.710 120.400 -0.172 0.000 2.336 225 D HA 0.178 4.818 4.640 -0.001 0.000 0.228 225 D C 0.348 176.535 176.300 -0.188 0.000 1.120 225 D CA -0.107 53.799 54.000 -0.156 0.000 0.839 225 D CB 0.116 40.853 40.800 -0.104 0.000 0.932 225 D HN 0.350 nan 8.370 nan 0.000 0.509 226 K N -0.917 119.321 120.400 -0.270 0.000 2.520 226 K HA 0.172 4.492 4.320 -0.001 0.000 0.206 226 K C -0.462 175.800 176.600 -0.562 0.000 1.122 226 K CA -0.146 55.932 56.287 -0.348 0.000 1.045 226 K CB 1.490 33.800 32.500 -0.316 0.000 0.932 226 K HN -0.043 nan 8.250 nan 0.000 0.571 227 T N 1.262 115.518 114.554 -0.497 0.000 2.921 227 T HA 0.279 4.629 4.350 -0.001 0.000 0.297 227 T C -1.450 173.020 174.700 -0.383 0.000 1.013 227 T CA -0.772 61.023 62.100 -0.509 0.000 0.990 227 T CB 1.528 70.120 68.868 -0.460 0.000 1.023 227 T HN -0.011 nan 8.240 nan 0.000 0.447 228 N N 2.559 121.039 118.700 -0.367 0.000 2.500 228 N HA 0.326 5.065 4.740 -0.001 0.000 0.291 228 N C -2.032 173.484 175.510 0.009 0.000 1.092 228 N CA -0.523 52.404 53.050 -0.206 0.000 0.890 228 N CB 1.415 39.754 38.487 -0.246 0.000 1.466 228 N HN 0.564 nan 8.380 nan 0.000 0.507 229 F N 2.886 122.931 119.950 0.159 0.000 2.427 229 F HA 0.497 5.023 4.527 -0.001 0.000 0.348 229 F C -0.693 175.294 175.800 0.312 0.000 1.125 229 F CA -0.188 58.061 58.000 0.415 0.000 0.989 229 F CB 1.315 40.654 39.000 0.565 0.000 1.165 229 F HN 0.200 nan 8.300 nan 0.000 0.442 230 T N 7.640 122.028 114.554 -0.276 0.000 2.833 230 T HA 0.232 4.582 4.350 -0.001 0.000 0.297 230 T C -0.946 173.687 174.700 -0.112 0.000 1.015 230 T CA -0.296 61.743 62.100 -0.102 0.000 0.963 230 T CB 0.221 69.051 68.868 -0.063 0.000 0.955 230 T HN 0.435 nan 8.240 nan 0.000 0.449 231 F N 5.322 125.267 119.950 -0.008 0.000 2.471 231 F HA 0.499 5.026 4.527 -0.001 0.000 0.365 231 F C -0.856 175.039 175.800 0.158 0.000 1.095 231 F CA -1.110 56.983 58.000 0.156 0.000 1.174 231 F CB 0.062 39.309 39.000 0.413 0.000 1.105 231 F HN 0.394 nan 8.300 nan 0.000 0.535 232 L N 6.803 127.769 121.223 -0.428 0.000 2.333 232 L HA 0.549 4.889 4.340 -0.001 0.000 0.280 232 L C -0.448 176.053 176.870 -0.615 0.000 1.004 232 L CA -0.608 53.981 54.840 -0.418 0.000 0.820 232 L CB 1.703 43.636 42.059 -0.211 0.000 1.247 232 L HN 0.727 nan 8.230 nan 0.000 0.416 233 S N 1.833 117.217 115.700 -0.527 0.000 2.595 233 S HA 0.738 5.208 4.470 -0.001 0.000 0.281 233 S C -1.430 173.017 174.600 -0.255 0.000 1.117 233 S CA -0.781 57.144 58.200 -0.459 0.000 0.873 233 S CB 2.357 65.295 63.200 -0.436 0.000 1.108 233 S HN 0.482 nan 8.310 nan 0.000 0.477 234 Y N 0.959 120.889 120.300 -0.617 0.000 2.362 234 Y HA 0.653 5.203 4.550 -0.000 0.000 0.326 234 Y C -2.366 173.153 175.900 -0.635 0.000 1.083 234 Y CA -1.268 56.569 58.100 -0.439 0.000 1.073 234 Y CB 1.228 39.526 38.460 -0.272 0.000 1.211 234 Y HN 0.767 nan 8.280 nan 0.000 0.433 235 F N 4.914 124.657 119.950 -0.345 0.000 2.477 235 F HA 0.559 5.086 4.527 -0.000 0.000 0.335 235 F C -0.401 175.150 175.800 -0.415 0.000 1.130 235 F CA -0.596 57.262 58.000 -0.237 0.000 0.948 235 F CB 2.117 41.067 39.000 -0.084 0.000 1.154 235 F HN 0.461 nan 8.300 nan 0.000 0.439 236 Q N 2.927 122.646 119.800 -0.134 0.000 2.315 236 Q HA 0.452 4.792 4.340 -0.001 0.000 0.273 236 Q C -1.941 174.076 176.000 0.028 0.000 1.053 236 Q CA -0.873 54.855 55.803 -0.124 0.000 0.817 236 Q CB 2.444 31.062 28.738 -0.200 0.000 1.326 236 Q HN 0.693 nan 8.270 nan 0.000 0.423 237 N N 2.280 121.021 118.700 0.069 0.000 2.410 237 N HA 0.264 5.004 4.740 -0.001 0.000 0.287 237 N C -1.892 173.660 175.510 0.070 0.000 1.044 237 N CA -0.287 52.824 53.050 0.102 0.000 0.881 237 N CB 1.727 40.310 38.487 0.160 0.000 1.405 237 N HN 0.555 nan 8.380 nan 0.000 0.490 238 E N 4.226 124.439 120.200 0.022 0.000 2.255 238 E HA 0.258 4.608 4.350 -0.001 0.000 0.245 238 E C -1.952 174.641 176.600 -0.012 0.000 0.909 238 E CA -1.858 54.517 56.400 -0.042 0.000 0.747 238 E CB 1.879 31.539 29.700 -0.067 0.000 1.215 238 E HN 0.508 nan 8.360 nan 0.000 0.424 239 P HA -0.164 nan 4.420 nan 0.000 0.215 239 P C -0.237 177.066 177.300 0.005 0.000 1.157 239 P CA 1.284 64.401 63.100 0.028 0.000 0.868 239 P CB 0.386 32.123 31.700 0.063 0.000 0.788 240 E N -1.695 118.491 120.200 -0.022 0.000 2.241 240 E HA 0.176 4.526 4.350 -0.001 0.000 0.263 240 E C 0.425 176.985 176.600 -0.066 0.000 0.882 240 E CA -0.010 56.378 56.400 -0.020 0.000 0.769 240 E CB 1.321 31.016 29.700 -0.009 0.000 1.185 240 E HN 0.074 nan 8.360 nan 0.000 0.415 241 T N -0.561 113.939 114.554 -0.090 0.000 3.057 241 T HA 0.366 4.716 4.350 -0.001 0.000 0.254 241 T C 1.005 175.574 174.700 -0.218 0.000 1.094 241 T CA 0.395 62.369 62.100 -0.210 0.000 1.088 241 T CB 0.301 68.942 68.868 -0.378 0.000 0.934 241 T HN 0.710 nan 8.240 nan 0.000 0.497 242 G N 0.913 109.634 108.800 -0.132 0.000 2.447 242 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.220 242 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.220 242 G C -0.918 173.980 174.900 -0.003 0.000 1.261 242 G CA -0.560 44.508 45.100 -0.053 0.000 1.000 242 G HN 0.515 nan 8.290 nan 0.000 0.515 243 Y N 0.214 120.493 120.300 -0.036 0.000 2.425 243 Y HA 0.539 5.089 4.550 -0.001 0.000 0.331 243 Y C 0.516 176.486 175.900 0.117 0.000 1.157 243 Y CA 0.663 58.788 58.100 0.042 0.000 1.372 243 Y CB 0.732 39.224 38.460 0.054 0.000 1.253 243 Y HN 0.814 nan 8.280 nan 0.000 0.536 244 Y N 4.466 124.311 120.300 -0.758 0.000 2.892 244 Y HA 0.374 4.924 4.550 -0.001 0.000 0.242 244 Y C 0.180 175.792 175.900 -0.479 0.000 1.080 244 Y CA -0.439 57.347 58.100 -0.523 0.000 1.147 244 Y CB 0.109 38.369 38.460 -0.333 0.000 1.229 244 Y HN 0.733 nan 8.280 nan 0.000 0.633 245 G N -0.113 108.033 108.800 -1.091 0.000 2.535 245 G HA2 0.384 4.343 3.960 -0.001 0.000 0.303 245 G HA3 0.384 4.343 3.960 -0.001 0.000 0.303 245 G C -1.198 173.899 174.900 0.328 0.000 1.237 245 G CA -0.347 44.543 45.100 -0.350 0.000 0.986 245 G HN 0.145 nan 8.290 nan 0.000 0.494 246 W N -0.466 120.991 121.300 0.261 0.000 2.606 246 W HA 0.681 5.341 4.660 -0.000 0.000 0.332 246 W C -0.513 176.091 176.519 0.143 0.000 1.052 246 W CA -1.077 56.388 57.345 0.201 0.000 1.223 246 W CB 1.146 30.751 29.460 0.241 0.000 1.383 246 W HN 0.133 nan 8.180 nan 0.000 0.524 247 L N 4.807 126.144 121.223 0.190 0.000 2.362 247 L HA 0.460 4.799 4.340 -0.001 0.000 0.271 247 L C -1.929 174.903 176.870 -0.065 0.000 1.002 247 L CA -2.184 52.725 54.840 0.117 0.000 0.818 247 L CB 2.668 44.767 42.059 0.068 0.000 1.298 247 L HN 0.020 nan 8.230 nan 0.000 0.420 248 P HA 0.031 nan 4.420 nan 0.000 0.272 248 P C -0.261 176.899 177.300 -0.233 0.000 1.230 248 P CA -0.403 62.630 63.100 -0.112 0.000 0.788 248 P CB 0.730 32.411 31.700 -0.033 0.000 0.949 249 K N 0.917 121.115 120.400 -0.338 0.000 2.283 249 K HA -0.089 4.231 4.320 -0.001 0.000 0.202 249 K C -0.113 176.312 176.600 -0.292 0.000 1.048 249 K CA 1.073 57.124 56.287 -0.393 0.000 0.948 249 K CB -0.228 31.797 32.500 -0.790 0.000 0.742 249 K HN 0.304 nan 8.250 nan 0.000 0.458 250 E N 0.767 120.831 120.200 -0.228 0.000 1.932 250 E HA 0.237 4.587 4.350 -0.001 0.000 0.275 250 E C 0.301 176.851 176.600 -0.083 0.000 1.159 250 E CA 0.527 56.847 56.400 -0.133 0.000 0.905 250 E CB 0.930 30.577 29.700 -0.089 0.000 1.059 250 E HN 0.501 nan 8.360 nan 0.000 0.400 251 G N 2.081 110.841 108.800 -0.066 0.000 2.260 251 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.179 251 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.179 251 G C 0.937 175.856 174.900 0.031 0.000 1.002 251 G CA 0.311 45.403 45.100 -0.014 0.000 0.677 251 G HN 0.583 nan 8.290 nan 0.000 0.486 252 T N -2.694 111.773 114.554 -0.145 0.000 3.447 252 T HA 0.366 4.715 4.350 -0.001 0.000 0.218 252 T C 1.950 176.473 174.700 -0.295 0.000 0.972 252 T CA 1.457 63.273 62.100 -0.474 0.000 1.264 252 T CB -0.155 68.142 68.868 -0.952 0.000 1.284 252 T HN 0.450 nan 8.240 nan 0.000 0.361 253 V N 2.054 121.813 119.914 -0.257 0.000 2.379 253 V HA 0.140 4.260 4.120 -0.001 0.000 0.245 253 V C 1.017 177.098 176.094 -0.021 0.000 1.044 253 V CA 1.326 63.576 62.300 -0.082 0.000 1.036 253 V CB -0.679 31.152 31.823 0.012 0.000 0.664 253 V HN 0.551 nan 8.190 nan 0.000 0.453 254 E N -0.107 120.051 120.200 -0.069 0.000 2.221 254 E HA 0.380 4.729 4.350 -0.001 0.000 0.268 254 E C -2.668 173.912 176.600 -0.033 0.000 0.933 254 E CA -2.336 54.034 56.400 -0.049 0.000 0.809 254 E CB 1.522 31.163 29.700 -0.099 0.000 1.190 254 E HN 0.191 nan 8.360 nan 0.000 0.406 255 P HA 0.063 nan 4.420 nan 0.000 0.274 255 P C -0.549 176.737 177.300 -0.022 0.000 1.231 255 P CA -0.090 63.003 63.100 -0.011 0.000 0.790 255 P CB 0.602 32.294 31.700 -0.013 0.000 0.951 256 L N 3.966 125.172 121.223 -0.028 0.000 2.468 256 L HA 0.199 4.539 4.340 -0.001 0.000 0.254 256 L C -1.137 175.727 176.870 -0.010 0.000 1.171 256 L CA -1.753 53.082 54.840 -0.009 0.000 0.809 256 L CB 0.305 42.346 42.059 -0.030 0.000 1.155 256 L HN 0.324 nan 8.230 nan 0.000 0.473 257 P HA -0.190 nan 4.420 nan 0.000 0.216 257 P C 0.557 177.853 177.300 -0.007 0.000 1.157 257 P CA 1.327 64.485 63.100 0.097 0.000 0.880 257 P CB -0.120 31.734 31.700 0.256 0.000 0.791 258 N N -0.637 117.934 118.700 -0.215 0.000 2.617 258 N HA -0.045 4.694 4.740 -0.001 0.000 0.198 258 N C 1.205 176.565 175.510 -0.250 0.000 1.317 258 N CA 1.221 54.033 53.050 -0.398 0.000 0.892 258 N CB -1.317 36.515 38.487 -1.093 0.000 1.041 258 N HN 0.225 nan 8.380 nan 0.000 0.450 259 G N -0.197 108.516 108.800 -0.145 0.000 2.186 259 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.266 259 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.266 259 G C 0.001 174.837 174.900 -0.106 0.000 0.982 259 G CA 1.000 46.041 45.100 -0.099 0.000 0.670 259 G HN 0.567 nan 8.290 nan 0.000 0.533 260 K N -0.790 119.520 120.400 -0.150 0.000 2.245 260 K HA 0.818 5.137 4.320 -0.001 0.000 0.234 260 K C 0.577 177.151 176.600 -0.044 0.000 1.021 260 K CA -0.929 55.285 56.287 -0.121 0.000 0.898 260 K CB 1.336 33.733 32.500 -0.173 0.000 1.163 260 K HN 0.164 nan 8.250 nan 0.000 0.459 261 R N 0.192 120.719 120.500 0.045 0.000 2.912 261 R HA 0.458 4.797 4.340 -0.001 0.000 0.262 261 R C -0.747 175.700 176.300 0.244 0.000 1.057 261 R CA -0.972 55.225 56.100 0.161 0.000 0.981 261 R CB 1.095 31.556 30.300 0.268 0.000 1.201 261 R HN 0.337 nan 8.270 nan 0.000 0.484 262 L N 3.519 124.855 121.223 0.188 0.000 2.349 262 L HA 0.322 4.662 4.340 -0.001 0.000 0.275 262 L C -1.886 174.992 176.870 0.012 0.000 1.115 262 L CA -1.885 52.965 54.840 0.017 0.000 0.820 262 L CB 0.849 42.853 42.059 -0.091 0.000 1.135 262 L HN 0.275 nan 8.230 nan 0.000 0.445 263 P HA -0.004 nan 4.420 nan 0.000 0.269 263 P C 0.694 177.668 177.300 -0.543 0.000 1.209 263 P CA -0.275 62.407 63.100 -0.695 0.000 0.776 263 P CB 0.650 31.900 31.700 -0.751 0.000 0.876 264 T N -1.972 111.998 114.554 -0.973 0.000 2.969 264 T HA -0.195 4.155 4.350 -0.001 0.000 0.271 264 T C 0.971 175.402 174.700 -0.450 0.000 1.127 264 T CA 1.485 62.867 62.100 -1.196 0.000 1.102 264 T CB -0.825 67.467 68.868 -0.960 0.000 0.855 264 T HN 0.538 nan 8.240 nan 0.000 0.536 265 D N -0.453 119.774 120.400 -0.288 0.000 2.363 265 D HA 0.040 4.680 4.640 -0.001 0.000 0.214 265 D C 0.298 176.555 176.300 -0.072 0.000 1.093 265 D CA -0.831 53.069 54.000 -0.167 0.000 0.837 265 D CB -0.558 40.150 40.800 -0.152 0.000 0.948 265 D HN 0.409 nan 8.370 nan 0.000 0.507 266 F N 2.366 122.229 119.950 -0.145 0.000 2.563 266 F HA 0.246 4.773 4.527 -0.000 0.000 0.363 266 F C 0.054 175.823 175.800 -0.053 0.000 1.123 266 F CA -0.304 57.657 58.000 -0.065 0.000 1.307 266 F CB 0.513 39.532 39.000 0.031 0.000 1.115 266 F HN -0.195 nan 8.300 nan 0.000 0.592 267 N N 4.155 122.328 118.700 -0.879 0.000 2.448 267 N HA 0.147 4.887 4.740 -0.001 0.000 0.279 267 N C -0.557 174.427 175.510 -0.877 0.000 1.025 267 N CA -0.488 52.172 53.050 -0.650 0.000 0.898 267 N CB 1.269 39.593 38.487 -0.271 0.000 1.303 267 N HN 0.633 nan 8.380 nan 0.000 0.495 268 E N 1.000 120.847 120.200 -0.588 0.000 2.419 268 E HA 0.283 4.633 4.350 -0.001 0.000 0.190 268 E C 0.815 177.385 176.600 -0.049 0.000 1.040 268 E CA -0.629 55.593 56.400 -0.298 0.000 0.900 268 E CB 0.000 29.701 29.700 0.002 0.000 1.054 268 E HN 0.452 nan 8.360 nan 0.000 0.462 269 G N 0.293 109.087 108.800 -0.009 0.000 2.437 269 G HA2 0.560 4.520 3.960 -0.001 0.000 0.319 269 G HA3 0.560 4.520 3.960 -0.001 0.000 0.319 269 G C -0.309 174.616 174.900 0.041 0.000 1.158 269 G CA -0.703 44.427 45.100 0.051 0.000 0.899 269 G HN 0.328 nan 8.290 nan 0.000 0.502 270 A N 0.457 123.315 122.820 0.064 0.000 2.531 270 A HA 0.236 4.556 4.320 -0.001 0.000 0.236 270 A C 1.673 179.329 177.584 0.119 0.000 1.062 270 A CA 0.396 52.488 52.037 0.092 0.000 0.760 270 A CB 0.257 19.339 19.000 0.137 0.000 0.995 270 A HN 0.899 nan 8.150 nan 0.000 0.501 271 K N 1.695 122.153 120.400 0.097 0.000 2.218 271 K HA -0.196 4.123 4.320 -0.001 0.000 0.205 271 K C 0.781 177.444 176.600 0.105 0.000 1.046 271 K CA 1.917 58.254 56.287 0.083 0.000 0.933 271 K CB -0.110 32.432 32.500 0.069 0.000 0.728 271 K HN 0.860 nan 8.250 nan 0.000 0.454 272 N N 0.539 119.334 118.700 0.158 0.000 2.320 272 N HA -0.014 4.726 4.740 -0.001 0.000 0.237 272 N C -0.939 174.688 175.510 0.194 0.000 1.129 272 N CA -0.323 52.831 53.050 0.174 0.000 0.854 272 N CB -0.282 38.330 38.487 0.208 0.000 1.083 272 N HN -0.003 nan 8.380 nan 0.000 0.504 273 N N 0.309 119.107 118.700 0.164 0.000 2.518 273 N HA 0.154 4.893 4.740 -0.001 0.000 0.266 273 N C -0.787 174.721 175.510 -0.003 0.000 1.196 273 N CA 0.455 53.557 53.050 0.087 0.000 0.947 273 N CB 1.093 39.654 38.487 0.123 0.000 1.098 273 N HN 0.221 nan 8.380 nan 0.000 0.450 274 T N 1.529 116.016 114.554 -0.112 0.000 2.933 274 T HA 0.492 4.841 4.350 -0.001 0.000 0.305 274 T C -2.026 172.624 174.700 -0.083 0.000 1.092 274 T CA -0.422 61.631 62.100 -0.078 0.000 1.008 274 T CB 0.288 69.090 68.868 -0.111 0.000 1.102 274 T HN 0.304 nan 8.240 nan 0.000 0.469 275 Y N 2.851 123.066 120.300 -0.142 0.000 2.362 275 Y HA 0.578 5.128 4.550 -0.001 0.000 0.326 275 Y C -0.385 175.430 175.900 -0.140 0.000 1.083 275 Y CA -0.644 57.355 58.100 -0.169 0.000 1.073 275 Y CB 1.844 40.189 38.460 -0.192 0.000 1.211 275 Y HN 0.814 nan 8.280 nan 0.000 0.433 276 S N 5.491 121.259 115.700 0.113 0.000 2.627 276 S HA 0.891 5.361 4.470 -0.001 0.000 0.283 276 S C -1.293 173.354 174.600 0.079 0.000 1.127 276 S CA -1.046 57.196 58.200 0.069 0.000 0.863 276 S CB 3.055 66.265 63.200 0.017 0.000 1.121 276 S HN 0.780 nan 8.310 nan 0.000 0.479 277 R N 1.047 121.577 120.500 0.049 0.000 2.604 277 R HA 0.457 4.796 4.340 -0.001 0.000 0.270 277 R C -2.058 174.272 176.300 0.050 0.000 1.052 277 R CA -0.451 55.683 56.100 0.056 0.000 0.902 277 R CB 1.596 31.921 30.300 0.041 0.000 1.233 277 R HN 0.840 nan 8.270 nan 0.000 0.455 278 N N 2.539 121.277 118.700 0.063 0.000 2.296 278 N HA 0.276 5.016 4.740 -0.001 0.000 0.294 278 N C -1.588 173.967 175.510 0.075 0.000 1.033 278 N CA -0.314 52.778 53.050 0.070 0.000 0.839 278 N CB 2.179 40.709 38.487 0.072 0.000 1.395 278 N HN 0.648 nan 8.380 nan 0.000 0.479 279 E N 2.146 122.395 120.200 0.082 0.000 2.256 279 E HA 0.439 4.789 4.350 -0.001 0.000 0.268 279 E C -0.953 175.704 176.600 0.096 0.000 0.877 279 E CA -0.583 55.866 56.400 0.081 0.000 0.757 279 E CB 2.361 32.125 29.700 0.107 0.000 1.183 279 E HN 0.437 nan 8.360 nan 0.000 0.418 283 G N 2.115 110.960 108.800 0.075 0.000 2.500 283 G HA2 0.895 4.854 3.960 -0.001 0.000 0.299 283 G HA3 0.895 4.854 3.960 -0.001 0.000 0.299 283 G C -1.575 173.413 174.900 0.145 0.000 1.242 283 G CA 0.202 45.346 45.100 0.073 0.000 0.859 283 G HN 2.468 nan 8.290 nan 0.000 0.481 284 Y N -2.135 118.174 120.300 0.015 0.000 2.677 284 Y HA 0.822 5.372 4.550 -0.001 0.000 0.334 284 Y C -0.806 175.013 175.900 -0.135 0.000 1.196 284 Y CA -1.206 56.816 58.100 -0.130 0.000 1.059 284 Y CB 1.404 39.683 38.460 -0.302 0.000 1.315 284 Y HN 0.924 nan 8.280 nan 0.000 0.455 285 S N 2.367 118.105 115.700 0.063 0.000 2.707 285 S HA 0.649 5.118 4.470 -0.001 0.000 0.312 285 S C -1.911 172.718 174.600 0.049 0.000 1.116 285 S CA -0.441 57.765 58.200 0.009 0.000 1.078 285 S CB -0.021 63.085 63.200 -0.157 0.000 0.997 285 S HN 0.677 nan 8.310 nan 0.000 0.477 286 F N 5.206 125.196 119.950 0.067 0.000 2.492 286 F HA 0.738 5.264 4.527 -0.000 0.000 0.327 286 F C -0.707 175.085 175.800 -0.013 0.000 1.079 286 F CA -0.735 57.301 58.000 0.061 0.000 0.967 286 F CB 1.454 40.606 39.000 0.253 0.000 1.169 286 F HN 0.617 nan 8.300 nan 0.000 0.472 287 D N 3.487 123.105 120.400 -1.304 0.000 2.837 287 D HA 0.224 4.863 4.640 -0.001 0.000 0.220 287 D C -2.223 173.369 176.300 -1.181 0.000 1.236 287 D CA -0.301 53.103 54.000 -0.993 0.000 0.838 287 D CB 1.851 42.299 40.800 -0.586 0.000 1.647 287 D HN 0.716 nan 8.370 nan 0.000 0.486 288 H N 0.823 119.384 119.070 -0.847 0.000 2.954 288 H HA 0.342 4.898 4.556 -0.001 0.000 0.361 288 H C -1.626 173.359 175.328 -0.572 0.000 1.122 288 H CA -0.379 55.289 56.048 -0.633 0.000 1.217 288 H CB 2.185 31.676 29.762 -0.451 0.000 1.776 288 H HN 0.643 nan 8.280 nan 0.000 0.533 289 E N 4.799 124.835 120.200 -0.275 0.000 2.092 289 E HA 0.180 4.529 4.350 -0.001 0.000 0.271 289 E C -0.043 176.628 176.600 0.119 0.000 0.919 289 E CA -0.537 55.805 56.400 -0.097 0.000 0.760 289 E CB 0.480 30.109 29.700 -0.119 0.000 1.106 289 E HN 0.381 nan 8.360 nan 0.000 0.408 290 F N 3.471 123.638 119.950 0.362 0.000 2.098 290 F HA -0.004 4.523 4.527 -0.001 0.000 0.294 290 F C 1.212 177.132 175.800 0.199 0.000 1.107 290 F CA 0.950 59.123 58.000 0.287 0.000 1.234 290 F CB -0.403 38.703 39.000 0.177 0.000 1.002 290 F HN 0.566 nan 8.300 nan 0.000 0.472 291 N N -2.355 116.570 118.700 0.376 0.000 3.621 291 N HA 0.121 4.861 4.740 -0.001 0.000 0.345 291 N C -0.286 175.310 175.510 0.144 0.000 1.646 291 N CA -0.333 52.854 53.050 0.229 0.000 0.731 291 N CB 0.007 38.633 38.487 0.232 0.000 2.435 291 N HN -0.224 nan 8.380 nan 0.000 0.613 292 D N -1.427 119.030 120.400 0.094 0.000 2.349 292 D HA 0.018 4.657 4.640 -0.001 0.000 0.224 292 D C 0.288 176.588 176.300 0.001 0.000 1.029 292 D CA 1.099 55.125 54.000 0.042 0.000 0.879 292 D CB 0.245 41.063 40.800 0.030 0.000 0.906 292 D HN 0.602 nan 8.370 nan 0.000 0.528 293 T N -1.332 113.208 114.554 -0.024 0.000 3.080 293 T HA 0.131 4.481 4.350 -0.001 0.000 0.280 293 T C -0.793 173.707 174.700 -0.333 0.000 0.926 293 T CA -0.327 61.652 62.100 -0.202 0.000 0.883 293 T CB 0.167 68.849 68.868 -0.310 0.000 1.194 293 T HN -0.196 nan 8.240 nan 0.000 0.541 294 F N 1.996 122.042 119.950 0.160 0.000 2.499 294 F HA 0.621 5.148 4.527 -0.000 0.000 0.333 294 F C -0.087 175.829 175.800 0.193 0.000 1.138 294 F CA -0.753 57.373 58.000 0.211 0.000 0.945 294 F CB 2.179 41.359 39.000 0.301 0.000 1.181 294 F HN -0.152 nan 8.300 nan 0.000 0.435 295 T N 3.227 117.963 114.554 0.302 0.000 2.848 295 T HA 0.534 4.884 4.350 -0.001 0.000 0.285 295 T C -1.142 173.601 174.700 0.071 0.000 0.995 295 T CA -0.630 61.519 62.100 0.081 0.000 0.970 295 T CB 2.042 70.927 68.868 0.029 0.000 0.976 295 T HN 0.365 nan 8.240 nan 0.000 0.441 296 V N 4.851 124.716 119.914 -0.081 0.000 2.513 296 V HA 0.858 4.977 4.120 -0.001 0.000 0.299 296 V C -0.833 175.250 176.094 -0.019 0.000 1.035 296 V CA -0.827 61.493 62.300 0.033 0.000 0.889 296 V CB 1.304 33.202 31.823 0.126 0.000 0.988 296 V HN 0.953 nan 8.190 nan 0.000 0.440 297 R N 4.877 125.416 120.500 0.064 0.000 2.604 297 R HA 0.693 5.033 4.340 -0.001 0.000 0.281 297 R C -1.329 175.074 176.300 0.171 0.000 1.020 297 R CA -0.817 55.301 56.100 0.030 0.000 0.899 297 R CB 1.867 32.122 30.300 -0.076 0.000 1.205 297 R HN 0.675 nan 8.270 nan 0.000 0.450 298 Q N 2.559 122.525 119.800 0.277 0.000 2.305 298 Q HA 0.370 4.709 4.340 -0.001 0.000 0.271 298 Q C -1.507 174.651 176.000 0.263 0.000 1.046 298 Q CA -0.894 55.095 55.803 0.309 0.000 0.798 298 Q CB 2.166 31.164 28.738 0.434 0.000 1.286 298 Q HN 0.696 nan 8.270 nan 0.000 0.435 299 N N 4.042 122.805 118.700 0.106 0.000 2.417 299 N HA 0.502 5.242 4.740 -0.001 0.000 0.274 299 N C -1.388 174.009 175.510 -0.188 0.000 0.987 299 N CA -0.277 52.752 53.050 -0.035 0.000 0.912 299 N CB 1.827 40.305 38.487 -0.016 0.000 1.177 299 N HN 0.625 nan 8.380 nan 0.000 0.490 300 L N 1.575 122.510 121.223 -0.480 0.000 2.401 300 L HA 0.664 5.004 4.340 -0.001 0.000 0.266 300 L C -1.007 175.596 176.870 -0.446 0.000 0.991 300 L CA -0.688 53.821 54.840 -0.552 0.000 0.818 300 L CB 2.281 43.888 42.059 -0.753 0.000 1.321 300 L HN 0.504 nan 8.230 nan 0.000 0.413 301 R N 3.420 123.707 120.500 -0.355 0.000 2.604 301 R HA 0.479 4.819 4.340 -0.001 0.000 0.270 301 R C -2.323 173.927 176.300 -0.082 0.000 1.052 301 R CA -0.560 55.432 56.100 -0.181 0.000 0.902 301 R CB 1.957 32.142 30.300 -0.192 0.000 1.233 301 R HN 0.581 nan 8.270 nan 0.000 0.455 302 F N 2.660 122.611 119.950 0.002 0.000 2.529 302 F HA 0.823 5.349 4.527 -0.001 0.000 0.320 302 F C -1.573 174.276 175.800 0.082 0.000 1.118 302 F CA -0.313 57.777 58.000 0.150 0.000 0.915 302 F CB 2.215 41.414 39.000 0.331 0.000 1.161 302 F HN 0.668 nan 8.300 nan 0.000 0.445 303 A N 4.581 126.788 122.820 -1.022 0.000 2.515 303 A HA 0.649 4.969 4.320 -0.001 0.000 0.298 303 A C -1.617 175.518 177.584 -0.748 0.000 1.059 303 A CA -0.679 50.950 52.037 -0.680 0.000 0.698 303 A CB 1.647 20.451 19.000 -0.328 0.000 1.289 303 A HN 0.812 nan 8.150 nan 0.000 0.404 304 E N 1.982 121.979 120.200 -0.339 0.000 2.255 304 E HA 0.428 4.777 4.350 -0.001 0.000 0.256 304 E C -1.396 175.187 176.600 -0.028 0.000 0.887 304 E CA -0.636 55.684 56.400 -0.133 0.000 0.782 304 E CB 0.794 30.523 29.700 0.049 0.000 1.214 304 E HN 0.669 nan 8.360 nan 0.000 0.417 305 N N 3.600 122.289 118.700 -0.017 0.000 2.272 305 N HA 0.462 5.202 4.740 -0.001 0.000 0.305 305 N C -1.118 174.425 175.510 0.054 0.000 1.103 305 N CA -0.659 52.406 53.050 0.026 0.000 0.791 305 N CB 2.010 40.507 38.487 0.018 0.000 1.356 305 N HN 0.404 nan 8.380 nan 0.000 0.486 306 K N -0.230 120.211 120.400 0.069 0.000 2.443 306 K HA 0.697 5.017 4.320 -0.001 0.000 0.251 306 K C -0.852 175.798 176.600 0.084 0.000 0.972 306 K CA -0.771 55.562 56.287 0.076 0.000 0.833 306 K CB 2.457 34.997 32.500 0.067 0.000 1.317 306 K HN 0.431 nan 8.250 nan 0.000 0.441 307 T N 0.014 114.620 114.554 0.086 0.000 3.012 307 T HA 0.482 4.831 4.350 -0.001 0.000 0.330 307 T C -1.845 172.865 174.700 0.016 0.000 1.321 307 T CA -0.574 61.571 62.100 0.076 0.000 1.067 307 T CB 1.163 70.124 68.868 0.154 0.000 1.235 307 T HN 0.713 nan 8.240 nan 0.000 0.479 308 S N 3.320 118.976 115.700 -0.074 0.000 2.588 308 S HA 0.898 5.368 4.470 -0.001 0.000 0.275 308 S C -1.435 172.955 174.600 -0.350 0.000 1.130 308 S CA -0.765 57.343 58.200 -0.152 0.000 0.855 308 S CB 2.167 65.313 63.200 -0.090 0.000 1.116 308 S HN 1.128 nan 8.310 nan 0.000 0.472 309 Q N 0.462 120.005 119.800 -0.427 0.000 2.545 309 Q HA 0.465 4.805 4.340 -0.001 0.000 0.273 309 Q C -2.161 173.523 176.000 -0.526 0.000 0.975 309 Q CA -0.806 54.636 55.803 -0.602 0.000 0.876 309 Q CB 1.009 29.038 28.738 -1.182 0.000 1.472 309 Q HN 0.758 nan 8.270 nan 0.000 0.389 310 N N 0.950 119.284 118.700 -0.609 0.000 2.569 310 N HA 0.451 5.190 4.740 -0.001 0.000 0.254 310 N C -1.634 173.369 175.510 -0.845 0.000 1.004 310 N CA -0.358 52.043 53.050 -1.082 0.000 0.904 310 N CB 1.758 39.391 38.487 -1.423 0.000 1.165 310 N HN 0.476 nan 8.380 nan 0.000 0.513 311 S N 1.220 116.714 115.700 -0.344 0.000 2.557 311 S HA 0.343 4.812 4.470 -0.001 0.000 0.291 311 S C -0.417 174.388 174.600 0.342 0.000 1.116 311 S CA -0.578 57.651 58.200 0.048 0.000 0.992 311 S CB 2.167 65.345 63.200 -0.037 0.000 1.028 311 S HN 0.106 nan 8.310 nan 0.000 0.484 312 V N 5.137 125.218 119.914 0.278 0.000 2.311 312 V HA 0.398 4.517 4.120 -0.001 0.000 0.275 312 V C -0.778 175.380 176.094 0.108 0.000 1.022 312 V CA -0.571 61.774 62.300 0.075 0.000 0.830 312 V CB -0.250 31.459 31.823 -0.190 0.000 1.012 312 V HN 0.831 nan 8.190 nan 0.000 0.452 313 Y N 2.934 123.189 120.300 -0.075 0.000 2.488 313 Y HA 0.909 5.459 4.550 -0.001 0.000 0.325 313 Y C 0.506 176.382 175.900 -0.041 0.000 1.204 313 Y CA -1.778 56.245 58.100 -0.127 0.000 1.229 313 Y CB 0.918 39.164 38.460 -0.357 0.000 1.274 313 Y HN 0.546 nan 8.280 nan 0.000 0.493 314 G N 0.730 109.578 108.800 0.079 0.000 2.367 314 G HA2 0.400 4.360 3.960 -0.001 0.000 0.314 314 G HA3 0.400 4.360 3.960 -0.001 0.000 0.314 314 G C -1.785 173.255 174.900 0.233 0.000 1.130 314 G CA -0.391 44.777 45.100 0.112 0.000 0.864 314 G HN 0.636 nan 8.290 nan 0.000 0.486 315 Y N 0.463 120.779 120.300 0.026 0.000 2.612 315 Y HA 0.604 5.154 4.550 -0.001 0.000 0.334 315 Y C 1.376 177.370 175.900 0.157 0.000 1.227 315 Y CA 0.242 58.400 58.100 0.096 0.000 1.356 315 Y CB 0.919 39.329 38.460 -0.083 0.000 1.534 315 Y HN 0.740 nan 8.280 nan 0.000 0.576 316 G N 0.156 109.005 108.800 0.082 0.000 2.647 316 G HA2 0.350 4.310 3.960 -0.001 0.000 0.271 316 G HA3 0.350 4.310 3.960 -0.001 0.000 0.271 316 G C -0.704 174.273 174.900 0.129 0.000 1.300 316 G CA -0.036 45.147 45.100 0.138 0.000 0.997 316 G HN 0.689 nan 8.290 nan 0.000 0.533 317 V N -2.825 117.140 119.914 0.084 0.000 2.881 317 V HA 0.162 4.282 4.120 -0.001 0.000 0.303 317 V C 1.509 177.649 176.094 0.077 0.000 1.070 317 V CA -0.703 61.646 62.300 0.082 0.000 1.074 317 V CB 0.592 32.446 31.823 0.052 0.000 1.012 317 V HN 0.779 nan 8.190 nan 0.000 0.482 318 c N 2.572 121.219 118.600 0.079 0.000 2.393 318 c HA -0.116 4.453 4.570 -0.001 0.000 0.292 318 c C 2.569 176.676 174.090 0.028 0.000 1.347 318 c CA 1.815 58.174 56.329 0.050 0.000 1.810 318 c CB -1.848 40.681 42.510 0.033 0.000 1.899 318 c HN 1.150 nan 8.230 nan 0.000 0.532 319 S N -1.530 114.187 115.700 0.029 0.000 2.557 319 S HA 0.073 4.543 4.470 -0.001 0.000 0.223 319 S C -0.015 174.590 174.600 0.009 0.000 0.969 319 S CA -0.160 58.047 58.200 0.012 0.000 0.927 319 S CB -0.227 62.982 63.200 0.014 0.000 0.806 319 S HN 0.647 nan 8.310 nan 0.000 0.489 320 D N 2.524 122.940 120.400 0.028 0.000 2.304 320 D HA 0.245 4.885 4.640 -0.001 0.000 0.250 320 D C -1.722 174.608 176.300 0.050 0.000 1.107 320 D CA -1.905 52.118 54.000 0.039 0.000 0.885 320 D CB 1.734 42.581 40.800 0.078 0.000 1.192 320 D HN -0.060 nan 8.370 nan 0.000 0.436 321 P HA -0.218 nan 4.420 nan 0.000 0.218 321 P C 0.918 178.263 177.300 0.074 0.000 1.150 321 P CA 1.803 64.925 63.100 0.037 0.000 0.841 321 P CB 0.188 31.919 31.700 0.050 0.000 0.784 322 A N -0.160 122.748 122.820 0.148 0.000 1.865 322 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 322 A C 1.856 179.543 177.584 0.173 0.000 1.191 322 A CA 1.794 53.952 52.037 0.201 0.000 0.623 322 A CB -1.355 17.756 19.000 0.186 0.000 0.826 322 A HN 0.192 nan 8.150 nan 0.000 0.444 323 N N 0.359 119.140 118.700 0.136 0.000 2.421 323 N HA 0.192 4.932 4.740 -0.001 0.000 0.201 323 N C 1.417 176.935 175.510 0.013 0.000 1.198 323 N CA 0.721 53.822 53.050 0.086 0.000 0.838 323 N CB -0.041 38.498 38.487 0.087 0.000 1.011 323 N HN 0.508 nan 8.380 nan 0.000 0.463 324 A N 0.450 123.240 122.820 -0.050 0.000 1.892 324 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 324 A C 1.072 178.483 177.584 -0.289 0.000 1.188 324 A CA 1.296 53.194 52.037 -0.232 0.000 0.631 324 A CB -0.733 18.013 19.000 -0.425 0.000 0.822 324 A HN 0.339 nan 8.150 nan 0.000 0.447 325 Y N 0.141 120.447 120.300 0.011 0.000 2.496 325 Y HA 0.308 4.858 4.550 -0.001 0.000 0.313 325 Y C 1.169 177.067 175.900 -0.003 0.000 1.184 325 Y CA 0.253 58.355 58.100 0.003 0.000 1.275 325 Y CB -0.198 38.263 38.460 0.001 0.000 1.103 325 Y HN 0.172 nan 8.280 nan 0.000 0.513 326 S N 0.644 116.393 115.700 0.082 0.000 2.430 326 S HA 0.185 4.655 4.470 -0.001 0.000 0.289 326 S C 1.102 175.718 174.600 0.027 0.000 1.143 326 S CA -0.674 57.556 58.200 0.050 0.000 1.067 326 S CB 0.631 63.846 63.200 0.025 0.000 0.964 326 S HN 0.430 nan 8.310 nan 0.000 0.485 327 K N 3.578 123.997 120.400 0.032 0.000 1.991 327 K HA -0.176 4.143 4.320 -0.001 0.000 0.212 327 K C 2.165 178.759 176.600 -0.011 0.000 1.049 327 K CA 1.793 58.089 56.287 0.015 0.000 0.932 327 K CB -0.271 32.242 32.500 0.022 0.000 0.717 327 K HN 0.681 nan 8.250 nan 0.000 0.441 328 Q N 0.212 120.004 119.800 -0.014 0.000 2.156 328 Q HA -0.269 4.071 4.340 -0.001 0.000 0.211 328 Q C 2.347 178.301 176.000 -0.077 0.000 0.995 328 Q CA 1.930 57.707 55.803 -0.043 0.000 0.877 328 Q CB -0.359 28.360 28.738 -0.031 0.000 0.920 328 Q HN 0.423 nan 8.270 nan 0.000 0.416 329 c N -0.428 118.140 118.600 -0.053 0.000 2.476 329 c HA 0.009 4.579 4.570 -0.001 0.000 0.278 329 c C 2.185 176.236 174.090 -0.065 0.000 1.274 329 c CA 0.478 56.768 56.329 -0.064 0.000 1.713 329 c CB -0.823 41.672 42.510 -0.026 0.000 2.039 329 c HN 0.549 nan 8.230 nan 0.000 0.484 330 A N -0.289 122.505 122.820 -0.044 0.000 2.426 330 A HA 0.536 4.856 4.320 -0.001 0.000 0.247 330 A C 1.142 178.701 177.584 -0.043 0.000 1.389 330 A CA 0.952 52.966 52.037 -0.039 0.000 1.129 330 A CB -0.599 18.386 19.000 -0.025 0.000 0.928 330 A HN 0.626 nan 8.150 nan 0.000 0.557 331 A N -0.386 122.394 122.820 -0.066 0.000 2.605 331 A HA 0.593 4.913 4.320 -0.001 0.000 0.292 331 A C -0.030 177.495 177.584 -0.097 0.000 1.055 331 A CA -0.143 51.852 52.037 -0.070 0.000 0.969 331 A CB 0.208 19.166 19.000 -0.070 0.000 1.236 331 A HN 0.382 nan 8.150 nan 0.000 0.534 332 L N -0.223 120.939 121.223 -0.101 0.000 2.354 332 L HA 0.733 5.073 4.340 -0.001 0.000 0.264 332 L C 0.543 177.384 176.870 -0.049 0.000 1.008 332 L CA -1.182 53.592 54.840 -0.110 0.000 0.819 332 L CB 1.925 43.875 42.059 -0.182 0.000 1.339 332 L HN 0.165 nan 8.230 nan 0.000 0.420 333 A N 2.363 125.171 122.820 -0.021 0.000 2.545 333 A HA 0.200 4.520 4.320 -0.001 0.000 0.253 333 A C -1.572 176.018 177.584 0.010 0.000 1.074 333 A CA -0.754 51.284 52.037 0.003 0.000 0.760 333 A CB -0.355 18.659 19.000 0.022 0.000 1.005 333 A HN 0.656 nan 8.150 nan 0.000 0.506 334 P HA -0.289 nan 4.420 nan 0.000 0.224 334 P C 0.976 178.289 177.300 0.022 0.000 1.154 334 P CA 2.508 65.612 63.100 0.007 0.000 0.868 334 P CB 0.218 31.921 31.700 0.004 0.000 0.782 335 A N -2.023 120.819 122.820 0.036 0.000 2.462 335 A HA 0.129 4.448 4.320 -0.001 0.000 0.261 335 A C 0.777 178.418 177.584 0.094 0.000 1.323 335 A CA 0.309 52.379 52.037 0.055 0.000 0.913 335 A CB -0.436 18.594 19.000 0.049 0.000 1.028 335 A HN 0.027 nan 8.150 nan 0.000 0.511 336 D N -1.194 119.260 120.400 0.089 0.000 2.502 336 D HA 0.101 4.741 4.640 -0.001 0.000 0.232 336 D C 1.476 177.798 176.300 0.035 0.000 1.137 336 D CA 0.243 54.321 54.000 0.130 0.000 0.827 336 D CB 0.231 41.110 40.800 0.131 0.000 1.141 336 D HN 0.282 nan 8.370 nan 0.000 0.517 337 K N 0.491 120.909 120.400 0.031 0.000 2.360 337 K HA 0.024 4.344 4.320 -0.001 0.000 0.201 337 K C 1.590 178.212 176.600 0.036 0.000 1.046 337 K CA 1.036 57.333 56.287 0.016 0.000 0.945 337 K CB 0.049 32.551 32.500 0.003 0.000 0.750 337 K HN 0.047 nan 8.250 nan 0.000 0.464 338 G N 0.600 109.436 108.800 0.060 0.000 3.383 338 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.251 338 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.251 338 G C 0.326 175.317 174.900 0.152 0.000 1.203 338 G CA -0.056 45.094 45.100 0.083 0.000 0.852 338 G HN 0.500 nan 8.290 nan 0.000 0.531 339 H N -3.449 115.661 119.070 0.068 0.000 3.233 339 H HA 0.377 4.933 4.556 -0.001 0.000 0.252 339 H C -1.293 173.964 175.328 -0.118 0.000 1.175 339 H CA -0.978 55.084 56.048 0.023 0.000 1.018 339 H CB -0.439 29.347 29.762 0.040 0.000 2.006 339 H HN 0.097 nan 8.280 nan 0.000 0.714 340 Y N 0.930 121.109 120.300 -0.201 0.000 2.376 340 Y HA 0.449 4.998 4.550 -0.001 0.000 0.340 340 Y C -0.880 175.011 175.900 -0.015 0.000 0.965 340 Y CA -1.441 56.571 58.100 -0.147 0.000 1.078 340 Y CB 2.020 40.333 38.460 -0.245 0.000 1.193 340 Y HN 0.257 nan 8.280 nan 0.000 0.452 341 L N 3.871 125.221 121.223 0.212 0.000 2.275 341 L HA 0.806 5.146 4.340 -0.001 0.000 0.288 341 L C -0.187 176.778 176.870 0.159 0.000 1.046 341 L CA -0.383 54.566 54.840 0.181 0.000 0.805 341 L CB 0.547 42.732 42.059 0.211 0.000 1.193 341 L HN 0.694 nan 8.230 nan 0.000 0.426 342 A N 5.846 128.747 122.820 0.135 0.000 2.322 342 A HA 0.836 5.156 4.320 -0.001 0.000 0.269 342 A C -0.136 177.497 177.584 0.082 0.000 1.094 342 A CA -0.387 51.709 52.037 0.098 0.000 0.807 342 A CB 0.422 19.486 19.000 0.107 0.000 1.047 342 A HN 0.831 nan 8.150 nan 0.000 0.487 343 R N 0.372 120.867 120.500 -0.008 0.000 2.799 343 R HA 0.647 4.986 4.340 -0.001 0.000 0.270 343 R C -0.882 175.263 176.300 -0.258 0.000 1.010 343 R CA -0.736 55.289 56.100 -0.124 0.000 0.916 343 R CB 2.395 32.634 30.300 -0.102 0.000 1.228 343 R HN 0.805 nan 8.270 nan 0.000 0.469 344 K N -0.019 120.069 120.400 -0.519 0.000 2.250 344 K HA 0.536 4.856 4.320 -0.001 0.000 0.261 344 K C -1.505 174.863 176.600 -0.387 0.000 1.047 344 K CA -0.895 55.084 56.287 -0.513 0.000 0.884 344 K CB 1.845 33.935 32.500 -0.683 0.000 1.476 344 K HN 0.551 nan 8.250 nan 0.000 0.445 345 Y N -2.935 117.288 120.300 -0.128 0.000 2.840 345 Y HA 0.781 5.330 4.550 -0.000 0.000 0.324 345 Y C -1.701 174.335 175.900 0.225 0.000 1.378 345 Y CA -1.220 56.945 58.100 0.108 0.000 1.077 345 Y CB 1.222 39.630 38.460 -0.086 0.000 1.361 345 Y HN 0.252 nan 8.280 nan 0.000 0.459 346 V N 1.331 121.485 119.914 0.400 0.000 2.851 346 V HA 0.597 4.716 4.120 -0.001 0.000 0.290 346 V C -2.140 173.961 176.094 0.012 0.000 1.330 346 V CA -0.562 61.680 62.300 -0.097 0.000 0.944 346 V CB 1.736 33.172 31.823 -0.644 0.000 1.090 346 V HN 0.906 nan 8.190 nan 0.000 0.436 347 V N 5.783 125.745 119.914 0.080 0.000 2.398 347 V HA 0.679 4.799 4.120 -0.001 0.000 0.286 347 V C -0.370 175.702 176.094 -0.036 0.000 1.026 347 V CA -0.160 62.151 62.300 0.018 0.000 0.868 347 V CB 1.673 33.601 31.823 0.175 0.000 0.982 347 V HN 1.026 nan 8.190 nan 0.000 0.443 348 D N 2.747 123.067 120.400 -0.133 0.000 2.547 348 D HA 0.602 5.242 4.640 -0.001 0.000 0.231 348 D C -1.617 174.669 176.300 -0.023 0.000 1.099 348 D CA -0.323 53.660 54.000 -0.029 0.000 0.901 348 D CB 2.284 43.032 40.800 -0.086 0.000 1.478 348 D HN 0.546 nan 8.370 nan 0.000 0.471 349 D N 1.560 122.005 120.400 0.075 0.000 2.548 349 D HA 0.203 4.843 4.640 -0.001 0.000 0.214 349 D C -1.345 175.020 176.300 0.109 0.000 1.345 349 D CA -0.228 53.808 54.000 0.059 0.000 0.945 349 D CB 1.045 41.871 40.800 0.043 0.000 1.499 349 D HN 0.500 nan 8.370 nan 0.000 0.579 350 E N 1.616 121.886 120.200 0.118 0.000 2.392 350 E HA 0.578 4.928 4.350 -0.001 0.000 0.269 350 E C -0.783 175.877 176.600 0.101 0.000 0.924 350 E CA -1.017 55.462 56.400 0.132 0.000 0.784 350 E CB 3.027 32.850 29.700 0.206 0.000 1.292 350 E HN 0.141 nan 8.360 nan 0.000 0.447 351 K N 2.033 122.486 120.400 0.089 0.000 2.616 351 K HA 0.273 4.593 4.320 -0.001 0.000 0.255 351 K C -1.945 174.695 176.600 0.066 0.000 0.995 351 K CA -0.508 55.824 56.287 0.074 0.000 0.860 351 K CB 0.770 33.311 32.500 0.069 0.000 1.264 351 K HN 0.403 nan 8.250 nan 0.000 0.451 352 L N 0.970 122.225 121.223 0.053 0.000 2.323 352 L HA 0.643 4.983 4.340 -0.001 0.000 0.265 352 L C -1.142 175.730 176.870 0.004 0.000 1.012 352 L CA -0.371 54.491 54.840 0.036 0.000 0.820 352 L CB 1.834 43.910 42.059 0.027 0.000 1.334 352 L HN 0.516 nan 8.230 nan 0.000 0.427 353 Q N 1.292 121.098 119.800 0.009 0.000 2.365 353 Q HA 0.469 4.808 4.340 -0.001 0.000 0.269 353 Q C -1.538 174.418 176.000 -0.073 0.000 1.061 353 Q CA -0.429 55.343 55.803 -0.051 0.000 0.816 353 Q CB 2.264 31.108 28.738 0.177 0.000 1.325 353 Q HN 0.895 nan 8.270 nan 0.000 0.446 354 N N 1.950 120.504 118.700 -0.244 0.000 2.461 354 N HA 0.454 5.194 4.740 -0.001 0.000 0.284 354 N C -1.918 173.556 175.510 -0.059 0.000 1.049 354 N CA -0.288 52.681 53.050 -0.135 0.000 0.889 354 N CB 1.161 39.538 38.487 -0.184 0.000 1.365 354 N HN 0.445 nan 8.380 nan 0.000 0.499 355 F N 2.664 122.603 119.950 -0.018 0.000 2.482 355 F HA 0.578 5.105 4.527 -0.000 0.000 0.331 355 F C -0.966 174.804 175.800 -0.051 0.000 1.115 355 F CA -0.200 57.864 58.000 0.107 0.000 0.955 355 F CB 1.565 40.732 39.000 0.279 0.000 1.136 355 F HN 0.222 nan 8.300 nan 0.000 0.452 356 S N 4.289 119.486 115.700 -0.839 0.000 2.546 356 S HA 0.747 5.217 4.470 -0.001 0.000 0.272 356 S C -1.332 172.882 174.600 -0.643 0.000 1.140 356 S CA -0.760 57.078 58.200 -0.603 0.000 0.920 356 S CB 1.748 64.744 63.200 -0.339 0.000 1.083 356 S HN 0.887 nan 8.310 nan 0.000 0.476 357 V N -0.467 119.271 119.914 -0.293 0.000 2.777 357 V HA 0.830 4.950 4.120 -0.001 0.000 0.306 357 V C -1.941 174.205 176.094 0.086 0.000 1.112 357 V CA -0.692 61.547 62.300 -0.102 0.000 0.917 357 V CB 1.972 33.823 31.823 0.047 0.000 1.018 357 V HN 0.788 nan 8.190 nan 0.000 0.426 358 D N 2.568 123.025 120.400 0.095 0.000 2.593 358 D HA 0.707 5.347 4.640 -0.001 0.000 0.251 358 D C -0.556 175.857 176.300 0.189 0.000 1.140 358 D CA 0.117 54.223 54.000 0.177 0.000 0.855 358 D CB 2.369 43.269 40.800 0.168 0.000 1.267 358 D HN 0.806 nan 8.370 nan 0.000 0.532 359 T N 3.951 118.628 114.554 0.206 0.000 2.829 359 T HA 0.609 4.959 4.350 -0.001 0.000 0.280 359 T C -0.811 173.980 174.700 0.153 0.000 0.999 359 T CA -0.815 61.397 62.100 0.187 0.000 0.983 359 T CB 1.417 70.389 68.868 0.175 0.000 0.968 359 T HN 0.453 nan 8.240 nan 0.000 0.446 360 Q N 1.847 121.736 119.800 0.149 0.000 2.340 360 Q HA 0.707 5.046 4.340 -0.001 0.000 0.276 360 Q C -1.958 174.116 176.000 0.123 0.000 1.048 360 Q CA -1.246 54.623 55.803 0.111 0.000 0.832 360 Q CB 1.979 30.816 28.738 0.165 0.000 1.373 360 Q HN 0.443 nan 8.270 nan 0.000 0.409 361 L N 1.647 122.937 121.223 0.111 0.000 2.313 361 L HA 0.399 4.738 4.340 -0.001 0.000 0.283 361 L C -0.987 175.992 176.870 0.181 0.000 1.013 361 L CA -0.157 54.784 54.840 0.168 0.000 0.816 361 L CB 1.889 44.048 42.059 0.166 0.000 1.236 361 L HN 0.849 nan 8.230 nan 0.000 0.419 362 Q N 3.567 123.486 119.800 0.199 0.000 2.400 362 Q HA 0.484 4.824 4.340 -0.001 0.000 0.255 362 Q C -1.273 174.818 176.000 0.152 0.000 1.008 362 Q CA -0.321 55.568 55.803 0.143 0.000 0.841 362 Q CB 0.923 29.724 28.738 0.104 0.000 1.220 362 Q HN 0.796 nan 8.270 nan 0.000 0.474 363 S N 4.420 120.169 115.700 0.081 0.000 2.438 363 S HA 0.395 4.864 4.470 -0.001 0.000 0.293 363 S C -0.814 173.600 174.600 -0.311 0.000 1.141 363 S CA -0.778 57.370 58.200 -0.088 0.000 1.080 363 S CB 0.810 64.059 63.200 0.081 0.000 0.978 363 S HN 0.435 nan 8.310 nan 0.000 0.479 364 K N 3.918 124.137 120.400 -0.303 0.000 2.316 364 K HA 0.536 4.855 4.320 -0.001 0.000 0.267 364 K C -0.757 175.730 176.600 -0.188 0.000 1.025 364 K CA -0.332 55.792 56.287 -0.272 0.000 0.896 364 K CB 0.650 33.070 32.500 -0.133 0.000 1.124 364 K HN 0.614 nan 8.250 nan 0.000 0.451 365 F N -0.510 119.395 119.950 -0.074 0.000 2.754 365 F HA 0.822 5.348 4.527 -0.001 0.000 0.320 365 F C -1.176 174.554 175.800 -0.117 0.000 1.156 365 F CA -1.720 56.214 58.000 -0.110 0.000 0.950 365 F CB 0.774 39.685 39.000 -0.148 0.000 1.388 365 F HN 0.338 nan 8.300 nan 0.000 0.485 366 A N -0.324 122.649 122.820 0.254 0.000 2.387 366 A HA 0.881 5.201 4.320 -0.001 0.000 0.303 366 A C -1.083 176.456 177.584 -0.076 0.000 1.145 366 A CA -0.828 51.254 52.037 0.074 0.000 0.801 366 A CB 1.440 20.470 19.000 0.051 0.000 1.342 366 A HN 0.905 nan 8.150 nan 0.000 0.440 367 T N 0.652 115.143 114.554 -0.104 0.000 3.422 367 T HA 0.544 4.893 4.350 -0.001 0.000 0.327 367 T C 0.436 175.118 174.700 -0.030 0.000 0.840 367 T CA 0.555 62.581 62.100 -0.123 0.000 1.126 367 T CB 0.246 68.986 68.868 -0.213 0.000 1.008 367 T HN 2.431 nan 8.240 nan 0.000 0.485 368 G N 3.363 112.159 108.800 -0.007 0.000 2.583 368 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.292 368 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.292 368 G C 0.272 175.228 174.900 0.094 0.000 1.203 368 G CA 0.454 45.576 45.100 0.038 0.000 0.987 368 G HN 0.625 nan 8.290 nan 0.000 0.554 369 D N 1.227 121.733 120.400 0.176 0.000 2.323 369 D HA 0.175 4.815 4.640 -0.001 0.000 0.239 369 D C 0.813 177.331 176.300 0.365 0.000 1.129 369 D CA 0.611 54.784 54.000 0.288 0.000 0.865 369 D CB 0.036 41.098 40.800 0.437 0.000 0.913 369 D HN 0.385 nan 8.370 nan 0.000 0.517 370 I N 1.311 121.999 120.570 0.197 0.000 2.355 370 I HA 0.139 4.309 4.170 -0.001 0.000 0.288 370 I C -0.018 176.250 176.117 0.251 0.000 0.999 370 I CA -0.669 60.756 61.300 0.209 0.000 1.163 370 I CB 1.655 39.726 38.000 0.118 0.000 1.316 370 I HN -0.379 nan 8.210 nan 0.000 0.454 371 D N 5.634 126.189 120.400 0.258 0.000 2.177 371 D HA 0.369 5.009 4.640 -0.001 0.000 0.247 371 D C -0.388 176.104 176.300 0.320 0.000 1.063 371 D CA -0.120 54.010 54.000 0.216 0.000 0.867 371 D CB 1.347 42.217 40.800 0.116 0.000 1.168 371 D HN 0.505 nan 8.370 nan 0.000 0.445 372 H N -0.021 119.006 119.070 -0.071 0.000 2.569 372 H HA 0.434 4.990 4.556 -0.001 0.000 0.357 372 H C -0.392 174.722 175.328 -0.357 0.000 1.153 372 H CA -0.686 55.223 56.048 -0.232 0.000 1.193 372 H CB 1.925 31.454 29.762 -0.388 0.000 1.602 372 H HN 0.135 nan 8.280 nan 0.000 0.523 373 T N 3.410 117.855 114.554 -0.181 0.000 3.141 373 T HA 0.119 4.469 4.350 -0.001 0.000 0.377 373 T C -0.680 173.923 174.700 -0.162 0.000 1.258 373 T CA -0.595 61.401 62.100 -0.173 0.000 1.263 373 T CB 0.096 68.909 68.868 -0.093 0.000 1.066 373 T HN 0.167 nan 8.240 nan 0.000 0.546 374 L N 4.373 125.461 121.223 -0.224 0.000 2.264 374 L HA 0.727 5.067 4.340 -0.001 0.000 0.289 374 L C -0.955 175.918 176.870 0.004 0.000 1.044 374 L CA -0.767 54.017 54.840 -0.094 0.000 0.807 374 L CB 0.708 42.723 42.059 -0.074 0.000 1.192 374 L HN 0.464 nan 8.230 nan 0.000 0.425 375 L N 5.353 126.602 121.223 0.044 0.000 2.307 375 L HA 0.800 5.140 4.340 -0.001 0.000 0.284 375 L C -0.489 176.420 176.870 0.065 0.000 1.023 375 L CA 0.236 55.124 54.840 0.081 0.000 0.810 375 L CB 1.771 43.899 42.059 0.115 0.000 1.231 375 L HN 0.840 nan 8.230 nan 0.000 0.423 376 T N 1.496 116.058 114.554 0.014 0.000 3.011 376 T HA 0.886 5.235 4.350 -0.001 0.000 0.303 376 T C -0.424 174.143 174.700 -0.221 0.000 0.997 376 T CA -0.204 61.842 62.100 -0.090 0.000 1.007 376 T CB 1.175 70.050 68.868 0.012 0.000 1.017 376 T HN 0.983 nan 8.240 nan 0.000 0.443 377 G N 1.074 109.498 108.800 -0.627 0.000 2.660 377 G HA2 0.718 4.678 3.960 -0.001 0.000 0.290 377 G HA3 0.718 4.678 3.960 -0.001 0.000 0.290 377 G C -1.046 173.502 174.900 -0.586 0.000 1.432 377 G CA -0.312 44.462 45.100 -0.543 0.000 0.807 377 G HN 1.642 nan 8.290 nan 0.000 0.485 378 V N -1.395 118.461 119.914 -0.098 0.000 2.555 378 V HA 0.818 4.938 4.120 -0.001 0.000 0.302 378 V C -1.359 174.914 176.094 0.298 0.000 1.038 378 V CA -0.915 61.461 62.300 0.128 0.000 0.887 378 V CB 1.808 33.713 31.823 0.136 0.000 0.991 378 V HN 0.667 nan 8.190 nan 0.000 0.434 379 D N 3.211 123.857 120.400 0.410 0.000 2.375 379 D HA 0.651 5.291 4.640 -0.001 0.000 0.247 379 D C -1.187 175.348 176.300 0.392 0.000 1.061 379 D CA -0.209 54.017 54.000 0.377 0.000 0.834 379 D CB 1.841 42.855 40.800 0.356 0.000 1.247 379 D HN 0.611 nan 8.370 nan 0.000 0.489 385 N N 2.223 120.943 118.700 0.033 0.000 2.410 385 N HA 0.218 4.958 4.740 -0.001 0.000 0.287 385 N C -1.844 173.681 175.510 0.025 0.000 1.044 385 N CA -0.503 52.570 53.050 0.039 0.000 0.881 385 N CB 1.799 40.316 38.487 0.050 0.000 1.405 385 N HN 0.502 nan 8.380 nan 0.000 0.490 386 D N 3.887 124.307 120.400 0.033 0.000 2.329 386 D HA 0.340 4.980 4.640 -0.001 0.000 0.232 386 D C -0.520 175.795 176.300 0.025 0.000 1.088 386 D CA -0.195 53.814 54.000 0.015 0.000 0.835 386 D CB 0.736 41.552 40.800 0.027 0.000 1.078 386 D HN 0.527 nan 8.370 nan 0.000 0.495 387 I N 3.340 123.898 120.570 -0.020 0.000 2.404 387 I HA 0.289 4.458 4.170 -0.001 0.000 0.293 387 I C 0.414 176.530 176.117 -0.003 0.000 0.992 387 I CA -0.640 60.663 61.300 0.004 0.000 1.149 387 I CB 1.610 39.545 38.000 -0.107 0.000 1.315 387 I HN 0.246 nan 8.210 nan 0.000 0.446 388 N N 5.569 124.323 118.700 0.089 0.000 2.690 388 N HA 0.637 5.377 4.740 -0.001 0.000 0.255 388 N C -1.363 174.269 175.510 0.203 0.000 1.195 388 N CA -0.122 52.996 53.050 0.114 0.000 0.790 388 N CB 1.010 39.554 38.487 0.095 0.000 1.216 388 N HN 0.763 nan 8.380 nan 0.000 0.528 389 A N 2.384 125.384 122.820 0.300 0.000 2.437 389 A HA 0.668 4.987 4.320 -0.001 0.000 0.292 389 A C -1.921 175.947 177.584 0.472 0.000 1.173 389 A CA -0.651 51.606 52.037 0.366 0.000 0.785 389 A CB 1.659 20.928 19.000 0.448 0.000 1.351 389 A HN 0.602 nan 8.150 nan 0.000 0.431 390 W N 0.825 122.215 121.300 0.151 0.000 2.830 390 W HA 0.622 5.282 4.660 -0.000 0.000 0.335 390 W C -2.683 173.828 176.519 -0.014 0.000 1.043 390 W CA -0.772 56.684 57.345 0.186 0.000 1.239 390 W CB 1.743 31.325 29.460 0.203 0.000 1.378 390 W HN 0.509 nan 8.180 nan 0.000 0.456 391 F N 3.003 122.820 119.950 -0.223 0.000 2.458 391 F HA 0.565 5.092 4.527 -0.000 0.000 0.336 391 F C 1.080 176.342 175.800 -0.897 0.000 1.114 391 F CA -0.399 57.387 58.000 -0.356 0.000 0.987 391 F CB 1.601 40.508 39.000 -0.154 0.000 1.130 391 F HN 0.307 nan 8.300 nan 0.000 0.458 392 G N 2.024 110.198 108.800 -1.044 0.000 2.448 392 G HA2 0.414 4.374 3.960 -0.001 0.000 0.285 392 G HA3 0.414 4.374 3.960 -0.001 0.000 0.285 392 G C -1.335 173.221 174.900 -0.575 0.000 1.176 392 G CA -0.082 44.353 45.100 -1.109 0.000 0.852 392 G HN 0.426 nan 8.290 nan 0.000 0.530 393 Y N -0.653 119.562 120.300 -0.142 0.000 2.853 393 Y HA 0.335 4.885 4.550 -0.000 0.000 0.332 393 Y C 1.725 177.537 175.900 -0.147 0.000 1.229 393 Y CA -1.367 56.650 58.100 -0.139 0.000 1.177 393 Y CB 0.139 38.546 38.460 -0.088 0.000 1.435 393 Y HN 0.442 nan 8.280 nan 0.000 0.659 394 D N 0.166 120.603 120.400 0.061 0.000 2.248 394 D HA -0.224 4.415 4.640 -0.001 0.000 0.189 394 D C 0.281 176.580 176.300 -0.001 0.000 1.011 394 D CA 2.316 56.305 54.000 -0.019 0.000 0.868 394 D CB -0.104 40.711 40.800 0.024 0.000 0.931 394 D HN 0.575 nan 8.370 nan 0.000 0.449 395 D N -0.843 119.586 120.400 0.050 0.000 2.501 395 D HA 0.049 4.689 4.640 -0.001 0.000 0.226 395 D C 1.523 177.878 176.300 0.091 0.000 1.198 395 D CA 0.083 54.115 54.000 0.053 0.000 0.830 395 D CB 0.576 41.409 40.800 0.055 0.000 1.014 395 D HN 0.121 nan 8.370 nan 0.000 0.496 396 S N -0.151 115.608 115.700 0.099 0.000 2.402 396 S HA -0.114 4.355 4.470 -0.001 0.000 0.233 396 S C 0.975 175.780 174.600 0.342 0.000 1.030 396 S CA 0.505 58.834 58.200 0.214 0.000 1.003 396 S CB 0.002 63.266 63.200 0.107 0.000 0.813 396 S HN 0.203 nan 8.310 nan 0.000 0.477 397 V N 0.850 120.887 119.914 0.203 0.000 3.049 397 V HA 0.596 4.716 4.120 -0.001 0.000 0.309 397 V C -2.850 173.312 176.094 0.114 0.000 1.148 397 V CA -2.489 59.947 62.300 0.226 0.000 0.990 397 V CB 1.755 33.525 31.823 -0.089 0.000 1.039 397 V HN 0.033 nan 8.190 nan 0.000 0.430 398 P HA 0.140 nan 4.420 nan 0.000 0.273 398 P C -1.159 176.178 177.300 0.062 0.000 1.248 398 P CA 0.157 63.308 63.100 0.084 0.000 0.817 398 P CB 0.234 31.994 31.700 0.099 0.000 0.995 399 L N -0.326 120.938 121.223 0.068 0.000 2.332 399 L HA 0.477 4.816 4.340 -0.001 0.000 0.269 399 L C -0.145 176.828 176.870 0.171 0.000 1.016 399 L CA -0.144 54.757 54.840 0.102 0.000 0.809 399 L CB 0.721 42.818 42.059 0.064 0.000 1.280 399 L HN 0.184 nan 8.230 nan 0.000 0.447 400 L N 1.777 123.134 121.223 0.224 0.000 2.341 400 L HA 0.460 4.800 4.340 -0.001 0.000 0.278 400 L C -0.320 176.709 176.870 0.266 0.000 1.005 400 L CA -0.544 54.442 54.840 0.244 0.000 0.818 400 L CB 1.698 43.904 42.059 0.246 0.000 1.259 400 L HN 0.597 nan 8.230 nan 0.000 0.418 401 N N 2.657 121.476 118.700 0.198 0.000 2.529 401 N HA 0.131 4.871 4.740 -0.001 0.000 0.278 401 N C 0.158 175.691 175.510 0.037 0.000 1.146 401 N CA -0.325 52.676 53.050 -0.080 0.000 0.980 401 N CB 1.697 40.131 38.487 -0.088 0.000 1.124 401 N HN 0.457 nan 8.380 nan 0.000 0.458 402 L N 3.872 125.118 121.223 0.039 0.000 2.513 402 L HA 0.151 4.490 4.340 -0.001 0.000 0.222 402 L C 1.448 178.386 176.870 0.114 0.000 1.096 402 L CA 0.349 55.220 54.840 0.052 0.000 0.857 402 L CB -1.161 40.925 42.059 0.046 0.000 1.026 402 L HN 0.583 nan 8.230 nan 0.000 0.469 403 Y N 0.540 120.802 120.300 -0.063 0.000 2.070 403 Y HA -0.275 4.275 4.550 -0.001 0.000 0.280 403 Y C 2.647 178.542 175.900 -0.009 0.000 1.148 403 Y CA 1.796 59.839 58.100 -0.095 0.000 1.125 403 Y CB -0.722 37.611 38.460 -0.211 0.000 0.975 403 Y HN 0.337 nan 8.280 nan 0.000 0.492 404 N N -0.590 118.232 118.700 0.204 0.000 2.043 404 N HA -0.156 4.583 4.740 -0.001 0.000 0.193 404 N C -1.243 174.454 175.510 0.311 0.000 1.037 404 N CA 1.469 54.651 53.050 0.219 0.000 0.851 404 N CB -0.750 37.872 38.487 0.224 0.000 1.027 404 N HN 0.136 nan 8.380 nan 0.000 0.422 405 P HA -0.049 nan 4.420 nan 0.000 0.231 405 P C 0.833 178.201 177.300 0.113 0.000 1.158 405 P CA 0.817 63.982 63.100 0.110 0.000 0.763 405 P CB 0.064 31.747 31.700 -0.028 0.000 0.805 406 S N -1.050 114.709 115.700 0.098 0.000 2.548 406 S HA 0.043 4.513 4.470 -0.001 0.000 0.215 406 S C 0.987 175.680 174.600 0.155 0.000 0.976 406 S CA -0.122 58.130 58.200 0.085 0.000 0.908 406 S CB -0.770 62.397 63.200 -0.057 0.000 0.781 406 S HN 0.198 nan 8.310 nan 0.000 0.519 407 S N 0.572 116.382 115.700 0.184 0.000 2.587 407 S HA 0.048 4.518 4.470 -0.001 0.000 0.260 407 S C 1.096 175.791 174.600 0.157 0.000 1.353 407 S CA -0.104 58.168 58.200 0.120 0.000 0.995 407 S CB -0.029 63.228 63.200 0.095 0.000 0.912 407 S HN 0.568 nan 8.310 nan 0.000 0.568 408 H N 0.643 119.703 119.070 -0.016 0.000 2.389 408 H HA -0.156 4.400 4.556 -0.001 0.000 0.299 408 H C 1.966 177.318 175.328 0.041 0.000 1.081 408 H CA 2.366 58.385 56.048 -0.049 0.000 1.345 408 H CB -0.636 29.049 29.762 -0.128 0.000 1.393 408 H HN 1.016 nan 8.280 nan 0.000 0.520 409 H N -0.089 119.010 119.070 0.049 0.000 2.457 409 H HA -0.131 4.425 4.556 -0.001 0.000 0.297 409 H C 1.725 177.037 175.328 -0.027 0.000 1.092 409 H CA 2.069 58.129 56.048 0.021 0.000 1.309 409 H CB -0.044 29.659 29.762 -0.098 0.000 1.382 409 H HN 0.394 nan 8.280 nan 0.000 0.535 410 H N -1.573 117.510 119.070 0.021 0.000 2.486 410 H HA 0.052 4.608 4.556 -0.001 0.000 0.287 410 H C 1.687 176.952 175.328 -0.105 0.000 1.010 410 H CA 0.977 56.984 56.048 -0.068 0.000 1.324 410 H CB -0.013 29.768 29.762 0.031 0.000 1.446 410 H HN 0.637 nan 8.280 nan 0.000 0.537 411 H N -0.731 118.285 119.070 -0.091 0.000 2.555 411 H HA -0.069 4.487 4.556 -0.001 0.000 0.269 411 H C 1.641 176.829 175.328 -0.234 0.000 0.988 411 H CA 0.609 56.553 56.048 -0.174 0.000 1.178 411 H CB 0.713 30.341 29.762 -0.223 0.000 1.373 411 H HN 0.363 nan 8.280 nan 0.000 0.588 412 H N -0.189 118.682 119.070 -0.331 0.000 2.334 412 H HA 0.017 4.572 4.556 -0.001 0.000 0.315 412 H C 1.118 176.147 175.328 -0.499 0.000 1.056 412 H CA 1.292 57.043 56.048 -0.495 0.000 1.418 412 H CB 0.243 29.657 29.762 -0.581 0.000 1.464 412 H HN 0.275 nan 8.280 nan 0.000 0.587 413 H N -0.486 118.442 119.070 -0.238 0.000 2.542 413 H HA 0.418 4.973 4.556 -0.000 0.000 0.283 413 H C 0.286 175.526 175.328 -0.148 0.000 1.059 413 H CA 0.113 56.008 56.048 -0.256 0.000 1.162 413 H CB 0.804 30.389 29.762 -0.296 0.000 1.539 413 H HN 0.629 nan 8.280 nan 0.000 0.543 414 G N 0.207 108.989 108.800 -0.031 0.000 2.690 414 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.686 414 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.686 414 G C -0.160 174.779 174.900 0.066 0.000 1.277 414 G CA -0.445 44.653 45.100 -0.005 0.000 0.799 414 G HN 0.246 nan 8.290 nan 0.000 0.613 415 S N -0.394 115.295 115.700 -0.019 0.000 2.606 415 S HA 0.645 5.114 4.470 -0.001 0.000 0.257 415 S C 0.747 175.294 174.600 -0.088 0.000 1.327 415 S CA 0.393 58.533 58.200 -0.100 0.000 0.984 415 S CB 0.983 64.203 63.200 0.032 0.000 0.941 415 S HN 1.179 nan 8.310 nan 0.000 0.576 416 S N 0.551 116.175 115.700 -0.128 0.000 2.500 416 S HA 0.373 4.842 4.470 -0.001 0.000 0.301 416 S C -0.444 174.150 174.600 -0.010 0.000 1.092 416 S CA -0.673 57.509 58.200 -0.030 0.000 1.030 416 S CB 1.704 64.909 63.200 0.009 0.000 1.031 416 S HN 0.600 nan 8.310 nan 0.000 0.483 417 V N 4.293 124.212 119.914 0.008 0.000 2.694 417 V HA 0.057 4.177 4.120 -0.001 0.000 0.306 417 V C 0.313 176.423 176.094 0.026 0.000 1.054 417 V CA 0.519 62.825 62.300 0.010 0.000 1.161 417 V CB 0.117 31.955 31.823 0.025 0.000 0.916 417 V HN 0.846 nan 8.190 nan 0.000 0.490 418 N N 3.339 122.054 118.700 0.025 0.000 2.471 418 N HA 0.348 5.088 4.740 -0.001 0.000 0.290 418 N C -0.030 175.514 175.510 0.056 0.000 1.345 418 N CA 0.442 53.519 53.050 0.046 0.000 0.920 418 N CB 0.140 38.652 38.487 0.042 0.000 1.093 418 N HN 0.918 nan 8.380 nan 0.000 0.499 419 T N -1.837 112.755 114.554 0.064 0.000 2.945 419 T HA 0.367 4.717 4.350 -0.001 0.000 0.286 419 T C -0.124 174.623 174.700 0.079 0.000 1.025 419 T CA -0.909 61.229 62.100 0.065 0.000 1.039 419 T CB 1.176 70.080 68.868 0.060 0.000 1.068 419 T HN 0.110 nan 8.240 nan 0.000 0.497 420 D N 0.136 120.579 120.400 0.072 0.000 2.325 420 D HA 0.326 4.966 4.640 -0.001 0.000 0.237 420 D C -0.728 175.631 176.300 0.098 0.000 1.328 420 D CA 0.305 54.360 54.000 0.092 0.000 0.918 420 D CB 0.246 41.081 40.800 0.059 0.000 1.156 420 D HN 0.554 nan 8.370 nan 0.000 0.485 421 F N -0.184 119.666 119.950 -0.166 0.000 2.641 421 F HA 0.118 4.645 4.527 -0.000 0.000 0.308 421 F C -1.122 174.393 175.800 -0.476 0.000 1.105 421 F CA -0.967 56.798 58.000 -0.391 0.000 0.964 421 F CB 1.718 40.320 39.000 -0.662 0.000 1.294 421 F HN -0.020 nan 8.300 nan 0.000 0.442 422 D N 4.660 124.296 120.400 -1.273 0.000 2.402 422 D HA 0.111 4.751 4.640 -0.001 0.000 0.235 422 D C 0.536 176.253 176.300 -0.971 0.000 1.226 422 D CA 0.267 53.745 54.000 -0.868 0.000 0.918 422 D CB 0.107 40.496 40.800 -0.686 0.000 1.043 422 D HN 0.460 nan 8.370 nan 0.000 0.506 423 F N 1.965 121.723 119.950 -0.319 0.000 2.558 423 F HA 0.024 4.551 4.527 -0.001 0.000 0.298 423 F C 2.166 177.805 175.800 -0.268 0.000 1.119 423 F CA 0.111 57.980 58.000 -0.219 0.000 1.451 423 F CB 0.020 38.977 39.000 -0.072 0.000 1.091 423 F HN 0.343 nan 8.300 nan 0.000 0.563 424 N N 0.603 119.229 118.700 -0.124 0.000 2.173 424 N HA 0.013 4.752 4.740 -0.001 0.000 0.184 424 N C 1.000 176.358 175.510 -0.253 0.000 1.025 424 N CA 0.744 53.694 53.050 -0.167 0.000 0.852 424 N CB -0.407 38.001 38.487 -0.131 0.000 0.998 424 N HN 0.077 nan 8.380 nan 0.000 0.427 425 A N 1.833 124.486 122.820 -0.279 0.000 2.537 425 A HA 0.030 4.349 4.320 -0.001 0.000 0.260 425 A C 0.185 177.630 177.584 -0.233 0.000 1.082 425 A CA 0.489 52.375 52.037 -0.251 0.000 0.765 425 A CB -0.110 18.723 19.000 -0.278 0.000 1.019 425 A HN 0.179 nan 8.150 nan 0.000 0.507 426 K N 3.157 123.424 120.400 -0.223 0.000 2.961 426 K HA 0.088 4.407 4.320 -0.001 0.000 0.187 426 K C -0.754 175.927 176.600 0.136 0.000 1.110 426 K CA -0.604 55.578 56.287 -0.175 0.000 0.968 426 K CB 0.581 32.480 32.500 -1.002 0.000 1.287 426 K HN 0.797 nan 8.250 nan 0.000 0.578 427 D N 2.518 123.004 120.400 0.144 0.000 2.662 427 D HA -0.052 4.588 4.640 -0.001 0.000 0.237 427 D C -1.654 174.802 176.300 0.260 0.000 1.154 427 D CA -1.042 53.053 54.000 0.158 0.000 0.861 427 D CB 1.078 41.951 40.800 0.123 0.000 1.146 427 D HN 0.105 nan 8.370 nan 0.000 0.518 428 P HA -0.075 nan 4.420 nan 0.000 0.229 428 P C 0.477 177.900 177.300 0.205 0.000 1.150 428 P CA 0.865 64.123 63.100 0.262 0.000 0.765 428 P CB 0.315 32.134 31.700 0.199 0.000 0.783 429 A N 1.126 124.052 122.820 0.177 0.000 1.843 429 A HA -0.125 4.195 4.320 -0.001 0.000 0.213 429 A C 2.006 179.710 177.584 0.199 0.000 1.239 429 A CA 1.340 53.469 52.037 0.153 0.000 0.606 429 A CB -1.342 17.726 19.000 0.113 0.000 0.903 429 A HN 0.311 nan 8.150 nan 0.000 0.455 430 N N -0.266 118.546 118.700 0.187 0.000 2.494 430 N HA -0.029 4.710 4.740 -0.001 0.000 0.182 430 N C 0.599 176.144 175.510 0.059 0.000 1.076 430 N CA 0.866 54.029 53.050 0.189 0.000 0.908 430 N CB 0.001 38.581 38.487 0.155 0.000 0.967 430 N HN 0.494 nan 8.380 nan 0.000 0.449 431 S N -0.974 114.734 115.700 0.014 0.000 2.745 431 S HA 0.853 5.323 4.470 -0.001 0.000 0.306 431 S C -0.305 174.067 174.600 -0.379 0.000 1.137 431 S CA -0.552 57.377 58.200 -0.451 0.000 0.900 431 S CB 2.144 65.507 63.200 0.273 0.000 1.176 431 S HN 0.249 nan 8.310 nan 0.000 0.520 432 G N -0.067 108.187 108.800 -0.911 0.000 2.673 432 G HA2 0.666 4.625 3.960 -0.001 0.000 0.292 432 G HA3 0.666 4.625 3.960 -0.001 0.000 0.292 432 G C -3.675 170.370 174.900 -1.425 0.000 1.450 432 G CA -1.317 43.317 45.100 -0.776 0.000 0.837 432 G HN 0.568 nan 8.290 nan 0.000 0.505 433 P HA 0.389 nan 4.420 nan 0.000 0.282 433 P C -1.553 175.726 177.300 -0.035 0.000 1.249 433 P CA -0.471 62.256 63.100 -0.622 0.000 0.806 433 P CB 0.957 32.527 31.700 -0.217 0.000 0.984 434 Y N 2.632 122.954 120.300 0.036 0.000 2.373 434 Y HA 0.418 4.968 4.550 -0.001 0.000 0.327 434 Y C -0.685 175.268 175.900 0.089 0.000 1.036 434 Y CA -0.646 57.506 58.100 0.088 0.000 1.265 434 Y CB 1.171 39.786 38.460 0.259 0.000 1.108 434 Y HN 0.228 nan 8.280 nan 0.000 0.471 435 R N 7.308 127.631 120.500 -0.295 0.000 2.435 435 R HA 0.622 4.961 4.340 -0.001 0.000 0.308 435 R C -1.429 174.645 176.300 -0.377 0.000 0.975 435 R CA -0.678 55.274 56.100 -0.247 0.000 0.867 435 R CB 1.656 31.919 30.300 -0.062 0.000 1.171 435 R HN 0.435 nan 8.270 nan 0.000 0.470 436 I N 3.410 123.716 120.570 -0.440 0.000 2.828 436 I HA 0.392 4.562 4.170 -0.001 0.000 0.302 436 I C -0.781 175.216 176.117 -0.201 0.000 1.101 436 I CA -1.141 59.941 61.300 -0.364 0.000 1.031 436 I CB 2.206 39.892 38.000 -0.523 0.000 1.231 436 I HN 0.414 nan 8.210 nan 0.000 0.427 437 L N 4.902 126.048 121.223 -0.128 0.000 2.345 437 L HA 0.466 4.806 4.340 -0.001 0.000 0.274 437 L C -0.815 176.026 176.870 -0.048 0.000 0.999 437 L CA 0.008 54.808 54.840 -0.066 0.000 0.849 437 L CB 0.553 42.590 42.059 -0.036 0.000 1.220 437 L HN 0.504 nan 8.230 nan 0.000 0.422 438 N N 4.489 123.168 118.700 -0.036 0.000 2.438 438 N HA 0.501 5.241 4.740 -0.001 0.000 0.282 438 N C -1.036 174.482 175.510 0.012 0.000 1.037 438 N CA -0.687 52.356 53.050 -0.012 0.000 0.942 438 N CB 1.261 39.743 38.487 -0.008 0.000 1.136 438 N HN 0.481 nan 8.380 nan 0.000 0.481 439 K N 1.919 122.333 120.400 0.023 0.000 2.375 439 K HA 0.448 4.768 4.320 -0.001 0.000 0.249 439 K C -1.041 175.586 176.600 0.044 0.000 0.942 439 K CA -0.688 55.621 56.287 0.038 0.000 0.806 439 K CB 2.229 34.756 32.500 0.045 0.000 1.227 439 K HN 0.450 nan 8.250 nan 0.000 0.430 440 Q N 1.278 121.107 119.800 0.047 0.000 2.353 440 Q HA 0.392 4.732 4.340 -0.001 0.000 0.275 440 Q C -1.627 174.405 176.000 0.055 0.000 1.029 440 Q CA -0.827 55.005 55.803 0.049 0.000 0.848 440 Q CB 2.993 31.745 28.738 0.024 0.000 1.390 440 Q HN 0.309 nan 8.270 nan 0.000 0.401 441 K N 1.896 122.347 120.400 0.084 0.000 2.535 441 K HA 0.389 4.709 4.320 -0.001 0.000 0.251 441 K C -1.633 175.059 176.600 0.153 0.000 0.942 441 K CA -0.576 55.778 56.287 0.112 0.000 0.798 441 K CB 2.827 35.450 32.500 0.206 0.000 1.267 441 K HN 0.524 nan 8.250 nan 0.000 0.434 442 Q N 1.551 121.431 119.800 0.133 0.000 2.315 442 Q HA 0.452 4.791 4.340 -0.001 0.000 0.273 442 Q C -1.663 174.534 176.000 0.329 0.000 1.053 442 Q CA -0.467 55.469 55.803 0.221 0.000 0.817 442 Q CB 2.482 31.312 28.738 0.154 0.000 1.326 442 Q HN 0.542 nan 8.270 nan 0.000 0.423 443 T N 1.924 116.749 114.554 0.451 0.000 2.921 443 T HA 0.777 5.127 4.350 -0.001 0.000 0.297 443 T C -0.957 174.084 174.700 0.568 0.000 1.013 443 T CA -0.496 61.924 62.100 0.534 0.000 0.990 443 T CB 1.544 70.713 68.868 0.502 0.000 1.023 443 T HN 0.708 nan 8.240 nan 0.000 0.447 444 G N 1.005 110.106 108.800 0.502 0.000 2.667 444 G HA2 0.686 4.645 3.960 -0.001 0.000 0.298 444 G HA3 0.686 4.645 3.960 -0.001 0.000 0.298 444 G C -1.051 174.149 174.900 0.501 0.000 1.377 444 G CA -0.770 44.628 45.100 0.497 0.000 0.964 444 G HN 0.921 nan 8.290 nan 0.000 0.493 445 V N -0.348 119.861 119.914 0.492 0.000 2.487 445 V HA 0.884 5.003 4.120 -0.001 0.000 0.298 445 V C -0.999 175.303 176.094 0.347 0.000 1.028 445 V CA -1.231 61.270 62.300 0.335 0.000 0.860 445 V CB 0.461 32.481 31.823 0.329 0.000 0.991 445 V HN 0.996 nan 8.190 nan 0.000 0.427 446 Y N 2.675 123.080 120.300 0.176 0.000 2.545 446 Y HA 0.946 5.496 4.550 -0.001 0.000 0.348 446 Y C -0.918 175.057 175.900 0.125 0.000 1.002 446 Y CA -1.849 56.334 58.100 0.139 0.000 1.039 446 Y CB 2.004 40.505 38.460 0.067 0.000 1.271 446 Y HN 0.490 nan 8.280 nan 0.000 0.467 447 V N 2.943 122.995 119.914 0.231 0.000 2.686 447 V HA 0.518 4.637 4.120 -0.001 0.000 0.306 447 V C -0.981 175.220 176.094 0.179 0.000 1.065 447 V CA -0.631 61.761 62.300 0.153 0.000 0.894 447 V CB 1.601 33.506 31.823 0.136 0.000 1.004 447 V HN 0.933 nan 8.190 nan 0.000 0.424 448 Q N 2.597 122.483 119.800 0.143 0.000 2.379 448 Q HA 0.664 5.004 4.340 -0.001 0.000 0.278 448 Q C -2.171 173.862 176.000 0.056 0.000 1.068 448 Q CA -0.611 55.255 55.803 0.105 0.000 0.816 448 Q CB 3.170 31.966 28.738 0.098 0.000 1.387 448 Q HN 0.841 nan 8.270 nan 0.000 0.413 449 D N 1.029 121.440 120.400 0.018 0.000 2.738 449 D HA 0.249 4.888 4.640 -0.001 0.000 0.237 449 D C -1.488 174.765 176.300 -0.078 0.000 1.123 449 D CA -0.208 53.764 54.000 -0.046 0.000 0.856 449 D CB 1.896 42.654 40.800 -0.071 0.000 1.552 449 D HN 0.419 nan 8.370 nan 0.000 0.480 450 Q N 1.852 121.587 119.800 -0.108 0.000 2.571 450 Q HA 0.566 4.905 4.340 -0.001 0.000 0.243 450 Q C -1.071 174.853 176.000 -0.127 0.000 1.055 450 Q CA -0.828 54.917 55.803 -0.096 0.000 0.815 450 Q CB 1.745 30.440 28.738 -0.071 0.000 1.151 450 Q HN 0.476 nan 8.270 nan 0.000 0.519 451 A N 2.493 125.208 122.820 -0.175 0.000 2.320 451 A HA 0.289 4.609 4.320 -0.001 0.000 0.287 451 A C -0.433 177.132 177.584 -0.032 0.000 1.181 451 A CA -0.195 51.722 52.037 -0.199 0.000 0.831 451 A CB 0.645 19.427 19.000 -0.363 0.000 1.102 451 A HN 0.626 nan 8.150 nan 0.000 0.513 452 Q N 2.221 122.050 119.800 0.049 0.000 2.357 452 Q HA 0.270 4.610 4.340 -0.001 0.000 0.266 452 Q C -1.645 174.483 176.000 0.213 0.000 1.021 452 Q CA -0.465 55.399 55.803 0.101 0.000 0.784 452 Q CB 1.045 29.823 28.738 0.066 0.000 1.243 452 Q HN 0.797 nan 8.270 nan 0.000 0.465 453 W N 7.348 128.644 121.300 -0.007 0.000 1.928 453 W HA 0.231 4.890 4.660 -0.001 0.000 0.341 453 W C -0.366 176.138 176.519 -0.024 0.000 0.789 453 W CA -0.516 56.830 57.345 0.001 0.000 1.680 453 W CB -0.598 28.861 29.460 -0.001 0.000 1.882 453 W HN 0.894 nan 8.180 nan 0.000 0.315 454 D N 1.107 121.563 120.400 0.093 0.000 4.352 454 D HA -0.323 4.316 4.640 -0.001 0.000 0.135 454 D C 0.776 177.050 176.300 -0.043 0.000 0.758 454 D CA 1.355 55.336 54.000 -0.030 0.000 1.133 454 D CB -0.659 40.044 40.800 -0.163 0.000 0.571 454 D HN 0.155 nan 8.370 nan 0.000 0.555 455 K N 0.888 121.218 120.400 -0.118 0.000 2.522 455 K HA 0.325 4.645 4.320 -0.001 0.000 0.194 455 K C -0.315 176.139 176.600 -0.244 0.000 1.026 455 K CA 0.172 56.401 56.287 -0.096 0.000 1.119 455 K CB 0.421 32.903 32.500 -0.029 0.000 0.856 455 K HN 0.110 nan 8.250 nan 0.000 0.513 456 V N 1.689 121.490 119.914 -0.188 0.000 2.448 456 V HA 0.371 4.490 4.120 -0.001 0.000 0.295 456 V C -1.233 174.875 176.094 0.022 0.000 1.025 456 V CA -1.111 61.101 62.300 -0.147 0.000 0.859 456 V CB 1.651 33.437 31.823 -0.061 0.000 0.988 456 V HN -0.027 nan 8.190 nan 0.000 0.431 457 L N 6.673 127.910 121.223 0.023 0.000 2.343 457 L HA 0.757 5.097 4.340 -0.001 0.000 0.278 457 L C -0.807 176.074 176.870 0.018 0.000 0.996 457 L CA -0.230 54.627 54.840 0.030 0.000 0.831 457 L CB 1.786 43.856 42.059 0.019 0.000 1.232 457 L HN 0.461 nan 8.230 nan 0.000 0.413 458 V N 5.099 125.019 119.914 0.010 0.000 2.448 458 V HA 0.700 4.820 4.120 -0.001 0.000 0.295 458 V C -0.441 175.632 176.094 -0.034 0.000 1.025 458 V CA 0.071 62.367 62.300 -0.005 0.000 0.859 458 V CB 2.036 33.874 31.823 0.025 0.000 0.988 458 V HN 0.925 nan 8.190 nan 0.000 0.431 459 T N 8.110 122.638 114.554 -0.044 0.000 2.823 459 T HA 0.747 5.096 4.350 -0.001 0.000 0.279 459 T C -0.951 173.754 174.700 0.007 0.000 0.998 459 T CA -0.277 61.799 62.100 -0.039 0.000 0.994 459 T CB 1.274 70.100 68.868 -0.069 0.000 0.960 459 T HN 0.715 nan 8.240 nan 0.000 0.448 460 L N 2.117 123.363 121.223 0.038 0.000 2.513 460 L HA 0.842 5.181 4.340 -0.001 0.000 0.261 460 L C -0.598 176.349 176.870 0.128 0.000 0.945 460 L CA 0.167 55.081 54.840 0.123 0.000 0.848 460 L CB 1.870 44.009 42.059 0.132 0.000 1.334 460 L HN 0.866 nan 8.230 nan 0.000 0.407 461 G N 1.367 110.286 108.800 0.198 0.000 2.523 461 G HA2 0.687 4.646 3.960 -0.001 0.000 0.291 461 G HA3 0.687 4.646 3.960 -0.001 0.000 0.291 461 G C -1.502 173.548 174.900 0.249 0.000 1.450 461 G CA -0.101 45.111 45.100 0.187 0.000 0.790 461 G HN 1.017 nan 8.290 nan 0.000 0.496 462 G N -1.071 107.872 108.800 0.238 0.000 2.684 462 G HA2 0.824 4.784 3.960 -0.001 0.000 0.290 462 G HA3 0.824 4.784 3.960 -0.001 0.000 0.290 462 G C -1.357 173.650 174.900 0.178 0.000 1.425 462 G CA -0.671 44.535 45.100 0.177 0.000 0.822 462 G HN 0.795 nan 8.290 nan 0.000 0.482 463 R N -0.866 119.633 120.500 -0.001 0.000 2.643 463 R HA 0.585 4.925 4.340 -0.001 0.000 0.269 463 R C -2.331 174.111 176.300 0.237 0.000 1.037 463 R CA -0.869 55.349 56.100 0.197 0.000 0.894 463 R CB 2.093 32.478 30.300 0.142 0.000 1.238 463 R HN 0.576 nan 8.270 nan 0.000 0.459 464 Y N 2.264 122.683 120.300 0.199 0.000 2.350 464 Y HA 0.435 4.984 4.550 -0.001 0.000 0.338 464 Y C -1.203 174.644 175.900 -0.090 0.000 0.961 464 Y CA -0.519 57.606 58.100 0.042 0.000 1.100 464 Y CB 1.792 40.230 38.460 -0.037 0.000 1.179 464 Y HN 0.594 nan 8.280 nan 0.000 0.454 465 D N 4.831 124.872 120.400 -0.598 0.000 2.342 465 D HA 0.198 4.838 4.640 -0.001 0.000 0.243 465 D C -1.146 174.826 176.300 -0.546 0.000 1.019 465 D CA -0.235 53.586 54.000 -0.298 0.000 0.864 465 D CB 1.626 42.422 40.800 -0.005 0.000 1.315 465 D HN 0.602 nan 8.370 nan 0.000 0.468 466 W N 1.636 122.947 121.300 0.019 0.000 2.406 466 W HA 0.434 5.094 4.660 -0.000 0.000 0.308 466 W C -0.571 176.010 176.519 0.102 0.000 0.965 466 W CA -0.797 56.578 57.345 0.049 0.000 1.589 466 W CB 1.200 30.741 29.460 0.135 0.000 1.417 466 W HN 0.284 nan 8.180 nan 0.000 0.415 467 A N 3.219 126.161 122.820 0.203 0.000 2.316 467 A HA 0.449 4.768 4.320 -0.001 0.000 0.311 467 A C -0.311 177.385 177.584 0.187 0.000 1.339 467 A CA -0.171 51.999 52.037 0.222 0.000 0.960 467 A CB 0.328 19.493 19.000 0.274 0.000 1.152 467 A HN 0.336 nan 8.150 nan 0.000 0.547 468 D N 2.011 122.522 120.400 0.186 0.000 2.256 468 D HA 0.483 5.123 4.640 -0.001 0.000 0.246 468 D C -0.148 176.222 176.300 0.117 0.000 1.042 468 D CA -0.009 54.081 54.000 0.151 0.000 0.841 468 D CB 1.747 42.644 40.800 0.162 0.000 1.223 468 D HN 0.755 nan 8.370 nan 0.000 0.470 469 Q N -0.314 119.542 119.800 0.094 0.000 2.421 469 Q HA 0.691 5.031 4.340 -0.001 0.000 0.280 469 Q C -1.233 174.802 176.000 0.058 0.000 1.085 469 Q CA -1.006 54.841 55.803 0.073 0.000 0.807 469 Q CB 3.041 31.820 28.738 0.069 0.000 1.405 469 Q HN 0.326 nan 8.270 nan 0.000 0.419 470 E N 1.104 121.332 120.200 0.046 0.000 2.307 470 E HA 0.351 4.700 4.350 -0.001 0.000 0.280 470 E C -1.939 174.672 176.600 0.019 0.000 0.900 470 E CA -0.379 56.041 56.400 0.033 0.000 0.790 470 E CB 2.282 32.004 29.700 0.036 0.000 1.261 470 E HN 0.595 nan 8.360 nan 0.000 0.405 471 S N 4.603 120.308 115.700 0.008 0.000 2.519 471 S HA 0.551 5.021 4.470 -0.001 0.000 0.309 471 S C -1.363 173.224 174.600 -0.022 0.000 1.100 471 S CA -0.736 57.457 58.200 -0.010 0.000 1.059 471 S CB 0.894 64.089 63.200 -0.009 0.000 1.008 471 S HN 0.512 nan 8.310 nan 0.000 0.478 472 L N 5.513 126.714 121.223 -0.037 0.000 2.296 472 L HA 0.602 4.942 4.340 -0.001 0.000 0.286 472 L C -0.389 176.437 176.870 -0.074 0.000 1.023 472 L CA -0.276 54.539 54.840 -0.041 0.000 0.812 472 L CB 1.363 43.405 42.059 -0.029 0.000 1.223 472 L HN 0.663 nan 8.230 nan 0.000 0.421 473 N N 4.377 123.036 118.700 -0.069 0.000 2.500 473 N HA 0.186 4.926 4.740 -0.001 0.000 0.236 473 N C 0.551 176.016 175.510 -0.074 0.000 1.022 473 N CA -0.123 52.867 53.050 -0.099 0.000 0.935 473 N CB 0.734 39.179 38.487 -0.070 0.000 1.147 473 N HN 0.701 nan 8.380 nan 0.000 0.512 474 R N 1.657 122.105 120.500 -0.086 0.000 2.397 474 R HA -0.059 4.281 4.340 -0.001 0.000 0.213 474 R C 0.928 177.214 176.300 -0.025 0.000 1.102 474 R CA 0.742 56.814 56.100 -0.046 0.000 1.040 474 R CB 0.310 30.585 30.300 -0.041 0.000 0.844 474 R HN 0.367 nan 8.270 nan 0.000 0.478 475 V N -1.191 118.703 119.914 -0.033 0.000 2.840 475 V HA 0.086 4.205 4.120 -0.001 0.000 0.234 475 V C 1.845 177.935 176.094 -0.006 0.000 1.159 475 V CA 1.118 63.413 62.300 -0.008 0.000 1.194 475 V CB -0.067 31.753 31.823 -0.005 0.000 0.971 475 V HN 0.218 nan 8.190 nan 0.000 0.494 476 A N 0.270 123.082 122.820 -0.013 0.000 2.216 476 A HA 0.233 4.553 4.320 -0.001 0.000 0.214 476 A C 2.033 179.613 177.584 -0.007 0.000 1.160 476 A CA 1.200 53.233 52.037 -0.006 0.000 0.725 476 A CB -1.079 17.919 19.000 -0.004 0.000 0.784 476 A HN 1.370 nan 8.150 nan 0.000 0.472 477 G N -0.210 108.583 108.800 -0.011 0.000 2.212 477 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.267 477 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.267 477 G C 0.554 175.449 174.900 -0.009 0.000 1.002 477 G CA 1.275 46.370 45.100 -0.009 0.000 0.729 477 G HN 1.473 nan 8.290 nan 0.000 0.517 478 T N -2.538 112.009 114.554 -0.012 0.000 2.899 478 T HA 0.641 4.990 4.350 -0.001 0.000 0.284 478 T C -0.056 174.636 174.700 -0.013 0.000 1.004 478 T CA 0.285 62.379 62.100 -0.009 0.000 1.043 478 T CB 2.280 71.145 68.868 -0.005 0.000 1.013 478 T HN 0.376 nan 8.240 nan 0.000 0.518 479 T N 2.342 116.891 114.554 -0.009 0.000 3.078 479 T HA 0.303 4.653 4.350 -0.001 0.000 0.328 479 T C -1.353 173.344 174.700 -0.005 0.000 0.987 479 T CA -0.725 61.371 62.100 -0.007 0.000 1.049 479 T CB 0.678 69.544 68.868 -0.003 0.000 1.011 479 T HN 0.647 nan 8.240 nan 0.000 0.463 480 D N 3.527 123.923 120.400 -0.005 0.000 2.232 480 D HA 0.420 5.059 4.640 -0.001 0.000 0.242 480 D C -0.071 176.232 176.300 0.004 0.000 1.093 480 D CA -0.302 53.694 54.000 -0.006 0.000 0.845 480 D CB 1.740 42.534 40.800 -0.010 0.000 1.124 480 D HN 0.401 nan 8.370 nan 0.000 0.467 481 K N 1.716 122.120 120.400 0.007 0.000 2.435 481 K HA 0.704 5.024 4.320 -0.001 0.000 0.251 481 K C -0.450 176.165 176.600 0.025 0.000 0.954 481 K CA -0.977 55.323 56.287 0.022 0.000 0.820 481 K CB 3.176 35.692 32.500 0.027 0.000 1.292 481 K HN 0.242 nan 8.250 nan 0.000 0.436 482 R N 1.252 121.778 120.500 0.043 0.000 2.579 482 R HA 0.214 4.554 4.340 -0.001 0.000 0.260 482 R C -1.962 174.383 176.300 0.074 0.000 1.103 482 R CA -0.474 55.656 56.100 0.051 0.000 0.942 482 R CB 1.438 31.766 30.300 0.047 0.000 1.251 482 R HN 0.587 nan 8.270 nan 0.000 0.450 483 D N 2.814 123.262 120.400 0.080 0.000 2.481 483 D HA 0.269 4.909 4.640 -0.001 0.000 0.246 483 D C -1.192 175.159 176.300 0.085 0.000 1.109 483 D CA -0.222 53.842 54.000 0.107 0.000 0.845 483 D CB 1.876 42.754 40.800 0.130 0.000 1.160 483 D HN 0.388 nan 8.370 nan 0.000 0.534 484 D N 1.638 122.080 120.400 0.070 0.000 2.193 484 D HA 0.256 4.896 4.640 -0.001 0.000 0.244 484 D C -0.075 176.142 176.300 -0.139 0.000 1.064 484 D CA -0.279 53.712 54.000 -0.016 0.000 0.845 484 D CB 1.973 42.774 40.800 0.002 0.000 1.148 484 D HN 0.047 nan 8.370 nan 0.000 0.464 485 K N 2.245 122.495 120.400 -0.250 0.000 2.274 485 K HA 0.408 4.728 4.320 -0.001 0.000 0.262 485 K C -0.527 175.663 176.600 -0.684 0.000 0.961 485 K CA -0.730 55.220 56.287 -0.561 0.000 0.833 485 K CB 2.086 34.417 32.500 -0.282 0.000 1.102 485 K HN 0.224 nan 8.250 nan 0.000 0.436 486 Q N 2.267 121.411 119.800 -1.094 0.000 2.377 486 Q HA 0.465 4.805 4.340 -0.001 0.000 0.279 486 Q C -2.062 173.476 176.000 -0.770 0.000 1.049 486 Q CA -0.718 54.545 55.803 -0.900 0.000 0.825 486 Q CB 1.514 29.443 28.738 -1.349 0.000 1.401 486 Q HN 0.509 nan 8.270 nan 0.000 0.404 487 F N 1.589 121.290 119.950 -0.415 0.000 2.532 487 F HA 0.859 5.385 4.527 -0.001 0.000 0.321 487 F C -1.107 174.704 175.800 0.019 0.000 1.089 487 F CA -0.161 57.788 58.000 -0.084 0.000 0.926 487 F CB 2.077 41.175 39.000 0.163 0.000 1.168 487 F HN 0.566 nan 8.300 nan 0.000 0.459 488 T N 2.998 117.062 114.554 -0.817 0.000 2.956 488 T HA 0.585 4.934 4.350 -0.001 0.000 0.312 488 T C -1.473 172.811 174.700 -0.694 0.000 1.151 488 T CA -0.773 61.003 62.100 -0.539 0.000 1.024 488 T CB 1.586 70.322 68.868 -0.221 0.000 1.140 488 T HN 0.853 nan 8.240 nan 0.000 0.473 489 W N 1.488 122.476 121.300 -0.521 0.000 3.062 489 W HA 0.832 5.492 4.660 -0.001 0.000 0.336 489 W C -1.603 174.838 176.519 -0.130 0.000 1.224 489 W CA -1.253 55.918 57.345 -0.290 0.000 1.159 489 W CB 1.611 31.018 29.460 -0.088 0.000 1.454 489 W HN 1.052 nan 8.180 nan 0.000 0.569 490 R N 1.010 121.438 120.500 -0.119 0.000 2.651 490 R HA 0.635 4.974 4.340 -0.001 0.000 0.278 490 R C -1.185 175.142 176.300 0.044 0.000 1.010 490 R CA -0.425 55.471 56.100 -0.339 0.000 0.896 490 R CB 1.935 32.066 30.300 -0.282 0.000 1.211 490 R HN 0.884 nan 8.270 nan 0.000 0.456 491 G N 0.894 109.706 108.800 0.020 0.000 2.687 491 G HA2 0.671 4.631 3.960 -0.001 0.000 0.301 491 G HA3 0.671 4.631 3.960 -0.001 0.000 0.301 491 G C -1.254 173.672 174.900 0.043 0.000 1.416 491 G CA -0.583 44.654 45.100 0.227 0.000 1.005 491 G HN 0.770 nan 8.290 nan 0.000 0.509 492 G N -0.953 107.802 108.800 -0.075 0.000 2.677 492 G HA2 0.711 4.671 3.960 -0.001 0.000 0.291 492 G HA3 0.711 4.671 3.960 -0.001 0.000 0.291 492 G C -1.835 172.862 174.900 -0.338 0.000 1.435 492 G CA -0.536 44.372 45.100 -0.320 0.000 0.826 492 G HN 1.102 nan 8.290 nan 0.000 0.491 493 V N 0.369 119.953 119.914 -0.550 0.000 2.888 493 V HA 0.574 4.694 4.120 -0.001 0.000 0.309 493 V C -1.111 174.952 176.094 -0.052 0.000 1.114 493 V CA -1.126 61.039 62.300 -0.226 0.000 0.940 493 V CB 2.359 34.134 31.823 -0.080 0.000 1.021 493 V HN 0.739 nan 8.190 nan 0.000 0.426 494 N N 1.681 120.415 118.700 0.057 0.000 2.296 494 N HA 0.451 5.191 4.740 -0.001 0.000 0.294 494 N C -1.476 174.165 175.510 0.220 0.000 1.033 494 N CA -0.495 52.654 53.050 0.164 0.000 0.839 494 N CB 1.950 40.488 38.487 0.084 0.000 1.395 494 N HN 0.816 nan 8.380 nan 0.000 0.479 495 Y N 2.523 122.923 120.300 0.168 0.000 2.434 495 Y HA 0.336 4.886 4.550 -0.001 0.000 0.341 495 Y C -0.550 175.494 175.900 0.241 0.000 0.965 495 Y CA -1.140 57.082 58.100 0.204 0.000 1.205 495 Y CB 0.499 39.098 38.460 0.232 0.000 1.121 495 Y HN 0.382 nan 8.280 nan 0.000 0.507 496 L N 7.673 129.207 121.223 0.519 0.000 2.505 496 L HA 0.038 4.377 4.340 -0.001 0.000 0.279 496 L C -0.695 176.489 176.870 0.523 0.000 1.211 496 L CA 0.516 55.599 54.840 0.404 0.000 1.059 496 L CB -1.260 40.921 42.059 0.204 0.000 1.340 496 L HN 0.496 nan 8.230 nan 0.000 0.447 497 F N 2.027 122.110 119.950 0.221 0.000 2.471 497 F HA 0.072 4.599 4.527 -0.001 0.000 0.365 497 F C 1.531 177.394 175.800 0.105 0.000 1.095 497 F CA -0.944 57.128 58.000 0.119 0.000 1.174 497 F CB 0.385 39.396 39.000 0.019 0.000 1.105 497 F HN 0.595 nan 8.300 nan 0.000 0.535 498 D N 0.532 121.007 120.400 0.126 0.000 2.362 498 D HA -0.276 4.363 4.640 -0.001 0.000 0.215 498 D C 1.152 177.519 176.300 0.111 0.000 0.978 498 D CA 1.259 55.309 54.000 0.084 0.000 0.921 498 D CB -0.532 40.276 40.800 0.012 0.000 0.895 498 D HN 0.504 nan 8.370 nan 0.000 0.494 499 N N -0.656 118.148 118.700 0.174 0.000 2.270 499 N HA 0.082 4.821 4.740 -0.001 0.000 0.198 499 N C 1.426 177.109 175.510 0.289 0.000 1.117 499 N CA 0.665 53.832 53.050 0.195 0.000 0.845 499 N CB 0.671 39.272 38.487 0.191 0.000 0.980 499 N HN 0.388 nan 8.380 nan 0.000 0.486 500 G N 0.560 109.524 108.800 0.273 0.000 2.604 500 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.205 500 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.205 500 G C 0.039 175.159 174.900 0.367 0.000 1.186 500 G CA -0.028 45.239 45.100 0.279 0.000 0.753 500 G HN 0.688 nan 8.290 nan 0.000 0.526 501 V N 0.757 120.919 119.914 0.413 0.000 2.720 501 V HA 0.541 4.660 4.120 -0.001 0.000 0.307 501 V C 0.189 176.372 176.094 0.148 0.000 1.071 501 V CA 1.125 63.561 62.300 0.226 0.000 1.199 501 V CB 0.975 32.785 31.823 -0.021 0.000 0.900 501 V HN 0.801 nan 8.190 nan 0.000 0.494 502 T N 6.494 121.126 114.554 0.130 0.000 3.209 502 T HA 0.409 4.758 4.350 -0.001 0.000 0.366 502 T C -2.613 172.189 174.700 0.170 0.000 1.293 502 T CA -0.705 61.491 62.100 0.160 0.000 1.417 502 T CB 1.115 70.092 68.868 0.183 0.000 1.013 502 T HN 0.650 nan 8.240 nan 0.000 0.572 503 P HA 0.352 nan 4.420 nan 0.000 0.270 503 P C -1.051 176.386 177.300 0.228 0.000 1.223 503 P CA -0.177 62.949 63.100 0.045 0.000 0.785 503 P CB 0.296 31.950 31.700 -0.076 0.000 0.923 504 Y N 0.141 120.512 120.300 0.119 0.000 2.702 504 Y HA 0.724 5.274 4.550 -0.000 0.000 0.336 504 Y C -1.973 174.049 175.900 0.203 0.000 1.203 504 Y CA -1.756 56.418 58.100 0.123 0.000 1.072 504 Y CB 0.646 39.128 38.460 0.037 0.000 1.327 504 Y HN 0.429 nan 8.280 nan 0.000 0.456 505 F N 0.568 120.685 119.950 0.278 0.000 2.668 505 F HA 0.923 5.450 4.527 -0.000 0.000 0.309 505 F C -1.340 174.629 175.800 0.282 0.000 1.117 505 F CA -0.368 57.748 58.000 0.193 0.000 0.951 505 F CB 1.839 40.911 39.000 0.119 0.000 1.323 505 F HN 1.191 nan 8.300 nan 0.000 0.451 506 S N 1.344 117.179 115.700 0.224 0.000 2.595 506 S HA 0.618 5.088 4.470 -0.001 0.000 0.270 506 S C -2.380 172.347 174.600 0.211 0.000 1.145 506 S CA -0.798 57.428 58.200 0.044 0.000 0.825 506 S CB 1.640 64.811 63.200 -0.047 0.000 1.107 506 S HN 1.509 nan 8.310 nan 0.000 0.461 507 Y N 1.511 121.775 120.300 -0.061 0.000 2.425 507 Y HA 0.750 5.299 4.550 -0.000 0.000 0.344 507 Y C -0.583 175.044 175.900 -0.456 0.000 0.969 507 Y CA 0.085 58.028 58.100 -0.262 0.000 1.052 507 Y CB 1.995 40.311 38.460 -0.240 0.000 1.215 507 Y HN 1.252 nan 8.280 nan 0.000 0.451 508 S N 3.764 118.701 115.700 -1.272 0.000 2.618 508 S HA 0.797 5.267 4.470 -0.001 0.000 0.277 508 S C -1.584 172.349 174.600 -1.111 0.000 1.138 508 S CA -1.179 56.400 58.200 -1.035 0.000 0.844 508 S CB 2.688 65.549 63.200 -0.566 0.000 1.127 508 S HN 0.683 nan 8.310 nan 0.000 0.474 509 E N 0.217 119.961 120.200 -0.761 0.000 2.383 509 E HA 0.726 5.075 4.350 -0.001 0.000 0.275 509 E C -1.287 175.118 176.600 -0.325 0.000 0.918 509 E CA -1.023 55.061 56.400 -0.527 0.000 0.764 509 E CB 2.263 31.694 29.700 -0.449 0.000 1.252 509 E HN 0.826 nan 8.360 nan 0.000 0.449 510 S N 0.663 116.228 115.700 -0.225 0.000 2.618 510 S HA 0.827 5.297 4.470 -0.001 0.000 0.277 510 S C -1.192 173.392 174.600 -0.027 0.000 1.138 510 S CA -0.957 57.149 58.200 -0.157 0.000 0.844 510 S CB 1.186 64.238 63.200 -0.246 0.000 1.127 510 S HN 0.572 nan 8.310 nan 0.000 0.474 511 F N -0.717 119.143 119.950 -0.150 0.000 2.608 511 F HA 0.847 5.374 4.527 -0.001 0.000 0.309 511 F C -1.001 174.746 175.800 -0.088 0.000 1.103 511 F CA -0.706 57.227 58.000 -0.112 0.000 0.954 511 F CB 1.711 40.652 39.000 -0.098 0.000 1.267 511 F HN 0.839 nan 8.300 nan 0.000 0.444 512 E N 4.819 124.960 120.200 -0.098 0.000 2.316 512 E HA 0.478 4.828 4.350 -0.001 0.000 0.254 512 E C -3.003 173.616 176.600 0.032 0.000 0.902 512 E CA -2.340 53.960 56.400 -0.166 0.000 0.801 512 E CB 2.135 31.741 29.700 -0.157 0.000 1.270 512 E HN 0.395 nan 8.360 nan 0.000 0.414 513 P HA -0.013 nan 4.420 nan 0.000 0.268 513 P C -0.893 176.469 177.300 0.104 0.000 1.208 513 P CA -0.084 63.100 63.100 0.140 0.000 0.777 513 P CB 1.095 32.888 31.700 0.155 0.000 0.875 514 S N 0.427 116.212 115.700 0.141 0.000 2.651 514 S HA 0.389 4.859 4.470 -0.001 0.000 0.291 514 S C 0.959 175.652 174.600 0.156 0.000 1.141 514 S CA -0.023 58.278 58.200 0.168 0.000 1.027 514 S CB 0.358 63.725 63.200 0.278 0.000 1.043 514 S HN 0.450 nan 8.310 nan 0.000 0.530 515 S N 2.162 117.955 115.700 0.155 0.000 2.578 515 S HA 0.272 4.742 4.470 -0.001 0.000 0.228 515 S C 0.222 174.903 174.600 0.136 0.000 1.022 515 S CA -0.493 57.779 58.200 0.120 0.000 0.967 515 S CB 0.000 63.261 63.200 0.100 0.000 0.914 515 S HN 0.661 nan 8.310 nan 0.000 0.515 516 Q N 1.414 121.349 119.800 0.226 0.000 2.382 516 Q HA 0.514 4.854 4.340 -0.001 0.000 0.229 516 Q C -0.496 175.527 176.000 0.038 0.000 1.006 516 Q CA -0.223 55.741 55.803 0.269 0.000 0.916 516 Q CB 1.501 30.546 28.738 0.511 0.000 1.235 516 Q HN 0.266 nan 8.270 nan 0.000 0.512 517 V N -0.087 119.767 119.914 -0.100 0.000 2.638 517 V HA 0.767 4.887 4.120 -0.001 0.000 0.306 517 V C -0.113 175.639 176.094 -0.571 0.000 1.052 517 V CA -0.271 61.751 62.300 -0.465 0.000 0.885 517 V CB 1.732 33.448 31.823 -0.178 0.000 0.999 517 V HN 0.811 nan 8.190 nan 0.000 0.424 518 G N 3.647 111.779 108.800 -1.112 0.000 2.543 518 G HA2 0.252 4.211 3.960 -0.001 0.000 0.290 518 G HA3 0.252 4.211 3.960 -0.001 0.000 0.290 518 G C 0.461 174.768 174.900 -0.988 0.000 1.310 518 G CA 0.034 44.748 45.100 -0.644 0.000 1.025 518 G HN 0.972 nan 8.290 nan 0.000 0.502 519 K N -0.282 119.461 120.400 -1.095 0.000 2.113 519 K HA -0.163 4.156 4.320 -0.001 0.000 0.208 519 K C 1.623 177.820 176.600 -0.673 0.000 1.047 519 K CA 1.851 57.350 56.287 -1.314 0.000 0.928 519 K CB -0.034 32.213 32.500 -0.421 0.000 0.716 519 K HN 0.631 nan 8.250 nan 0.000 0.446 520 D N -0.560 119.589 120.400 -0.418 0.000 2.346 520 D HA -0.025 4.614 4.640 -0.001 0.000 0.248 520 D C 0.721 176.871 176.300 -0.250 0.000 1.173 520 D CA 0.815 54.664 54.000 -0.252 0.000 0.878 520 D CB -0.509 40.194 40.800 -0.161 0.000 0.919 520 D HN 0.359 nan 8.370 nan 0.000 0.513 521 G N 0.519 109.117 108.800 -0.337 0.000 2.361 521 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.294 521 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.294 521 G C -0.252 174.532 174.900 -0.193 0.000 1.004 521 G CA 0.324 45.289 45.100 -0.225 0.000 0.870 521 G HN 0.576 nan 8.290 nan 0.000 0.510 522 N N -0.785 117.756 118.700 -0.265 0.000 2.238 522 N HA 0.492 5.232 4.740 -0.001 0.000 0.302 522 N C 0.151 175.467 175.510 -0.324 0.000 1.072 522 N CA -1.312 51.607 53.050 -0.219 0.000 0.792 522 N CB 1.185 39.579 38.487 -0.154 0.000 1.425 522 N HN -0.082 nan 8.380 nan 0.000 0.478 523 I N 2.586 123.037 120.570 -0.199 0.000 2.683 523 I HA -0.008 4.162 4.170 -0.001 0.000 0.286 523 I C 0.461 176.498 176.117 -0.133 0.000 1.175 523 I CA 0.459 61.657 61.300 -0.170 0.000 1.429 523 I CB -0.770 37.214 38.000 -0.027 0.000 1.371 523 I HN 0.390 nan 8.210 nan 0.000 0.569 524 F N 4.054 124.026 119.950 0.036 0.000 2.535 524 F HA 0.260 4.787 4.527 -0.001 0.000 0.332 524 F C 1.171 176.995 175.800 0.042 0.000 1.208 524 F CA -0.120 57.902 58.000 0.037 0.000 1.330 524 F CB 0.147 39.176 39.000 0.049 0.000 1.167 524 F HN 0.563 nan 8.300 nan 0.000 0.597 525 A N 2.200 125.176 122.820 0.260 0.000 2.313 525 A HA 0.521 4.841 4.320 -0.001 0.000 0.261 525 A C -2.377 175.299 177.584 0.153 0.000 1.090 525 A CA -1.489 50.642 52.037 0.156 0.000 0.807 525 A CB -0.454 18.615 19.000 0.114 0.000 1.055 525 A HN 0.474 nan 8.150 nan 0.000 0.492 526 P HA 0.168 nan 4.420 nan 0.000 0.269 526 P C -0.155 177.207 177.300 0.104 0.000 1.215 526 P CA -0.034 63.153 63.100 0.145 0.000 0.780 526 P CB 0.662 32.494 31.700 0.220 0.000 0.898 527 S N 1.048 116.794 115.700 0.076 0.000 2.672 527 S HA 0.577 5.046 4.470 -0.001 0.000 0.276 527 S C -0.298 174.319 174.600 0.029 0.000 1.207 527 S CA -0.635 57.584 58.200 0.031 0.000 1.002 527 S CB 1.188 64.386 63.200 -0.003 0.000 0.998 527 S HN 0.275 nan 8.310 nan 0.000 0.542 528 K N -0.673 119.722 120.400 -0.008 0.000 2.433 528 K HA 0.698 5.018 4.320 -0.001 0.000 0.252 528 K C -0.562 175.969 176.600 -0.115 0.000 1.015 528 K CA -0.994 55.280 56.287 -0.021 0.000 0.860 528 K CB 2.210 34.719 32.500 0.015 0.000 1.359 528 K HN 0.823 nan 8.250 nan 0.000 0.452 529 G N 1.331 110.041 108.800 -0.149 0.000 2.590 529 G HA2 0.483 4.443 3.960 -0.001 0.000 0.310 529 G HA3 0.483 4.443 3.960 -0.001 0.000 0.310 529 G C -1.129 173.623 174.900 -0.246 0.000 1.347 529 G CA -0.499 44.456 45.100 -0.241 0.000 0.963 529 G HN 0.183 nan 8.290 nan 0.000 0.494 530 K N 2.046 122.308 120.400 -0.231 0.000 2.579 530 K HA 0.311 4.631 4.320 -0.001 0.000 0.250 530 K C -0.861 175.577 176.600 -0.271 0.000 0.952 530 K CA -0.568 55.555 56.287 -0.273 0.000 0.857 530 K CB 2.497 34.964 32.500 -0.054 0.000 1.123 530 K HN 0.733 nan 8.250 nan 0.000 0.433 531 Q N 2.749 122.274 119.800 -0.458 0.000 2.353 531 Q HA 0.404 4.743 4.340 -0.001 0.000 0.268 531 Q C -1.392 174.419 176.000 -0.315 0.000 1.045 531 Q CA -0.743 54.905 55.803 -0.259 0.000 0.811 531 Q CB 1.288 29.900 28.738 -0.211 0.000 1.305 531 Q HN 0.435 nan 8.270 nan 0.000 0.447 532 Y N 1.888 122.257 120.300 0.115 0.000 2.328 532 Y HA 0.388 4.938 4.550 -0.000 0.000 0.337 532 Y C -0.337 175.678 175.900 0.192 0.000 0.966 532 Y CA -0.500 57.717 58.100 0.195 0.000 1.136 532 Y CB 1.770 40.347 38.460 0.195 0.000 1.170 532 Y HN 0.621 nan 8.280 nan 0.000 0.470 533 E N 2.898 123.297 120.200 0.331 0.000 2.331 533 E HA 0.731 5.081 4.350 -0.001 0.000 0.275 533 E C -1.844 174.914 176.600 0.263 0.000 0.895 533 E CA -0.957 55.616 56.400 0.288 0.000 0.753 533 E CB 2.199 32.051 29.700 0.253 0.000 1.216 533 E HN 0.448 nan 8.360 nan 0.000 0.434 534 V N 0.036 120.027 119.914 0.128 0.000 2.971 534 V HA 1.042 5.161 4.120 -0.001 0.000 0.309 534 V C -0.311 175.606 176.094 -0.295 0.000 1.130 534 V CA 0.146 62.419 62.300 -0.045 0.000 0.964 534 V CB 1.394 33.241 31.823 0.040 0.000 1.029 534 V HN 0.823 nan 8.190 nan 0.000 0.427 535 G N 1.268 109.611 108.800 -0.762 0.000 2.441 535 G HA2 0.745 4.704 3.960 -0.001 0.000 0.294 535 G HA3 0.745 4.704 3.960 -0.001 0.000 0.294 535 G C -1.266 173.244 174.900 -0.652 0.000 1.393 535 G CA 0.033 44.759 45.100 -0.623 0.000 0.796 535 G HN 2.092 nan 8.290 nan 0.000 0.494 536 V N -2.472 117.336 119.914 -0.177 0.000 2.789 536 V HA 0.881 5.001 4.120 -0.001 0.000 0.311 536 V C -0.833 175.376 176.094 0.192 0.000 1.073 536 V CA -1.281 61.034 62.300 0.026 0.000 0.921 536 V CB 1.777 33.582 31.823 -0.030 0.000 1.009 536 V HN 0.763 nan 8.190 nan 0.000 0.426 537 K N 3.350 123.904 120.400 0.257 0.000 2.292 537 K HA 0.517 4.836 4.320 -0.001 0.000 0.257 537 K C -1.912 174.821 176.600 0.222 0.000 0.940 537 K CA -0.652 55.769 56.287 0.222 0.000 0.811 537 K CB 2.495 35.104 32.500 0.182 0.000 1.120 537 K HN 0.833 nan 8.250 nan 0.000 0.428 538 Y N 2.775 123.109 120.300 0.057 0.000 2.402 538 Y HA 0.292 4.841 4.550 -0.000 0.000 0.332 538 Y C -0.987 174.936 175.900 0.038 0.000 0.960 538 Y CA -0.977 57.149 58.100 0.043 0.000 1.228 538 Y CB 0.874 39.353 38.460 0.033 0.000 1.120 538 Y HN 0.255 nan 8.280 nan 0.000 0.491 539 V N 9.137 128.868 119.914 -0.306 0.000 2.313 539 V HA 0.272 4.392 4.120 -0.001 0.000 0.262 539 V C -2.281 173.575 176.094 -0.397 0.000 1.011 539 V CA -1.638 60.459 62.300 -0.338 0.000 0.858 539 V CB 0.519 32.259 31.823 -0.138 0.000 1.104 539 V HN 0.673 nan 8.190 nan 0.000 0.456 540 P HA 0.034 nan 4.420 nan 0.000 0.263 540 P C 0.602 177.796 177.300 -0.177 0.000 1.195 540 P CA 0.358 63.229 63.100 -0.381 0.000 0.762 540 P CB 1.702 33.160 31.700 -0.403 0.000 0.799 541 E N 3.276 123.426 120.200 -0.083 0.000 2.150 541 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 541 E C 1.206 177.782 176.600 -0.041 0.000 0.985 541 E CA 1.675 58.044 56.400 -0.052 0.000 0.814 541 E CB -0.279 29.408 29.700 -0.022 0.000 0.752 541 E HN 0.497 nan 8.360 nan 0.000 0.466 542 D N 0.053 120.436 120.400 -0.029 0.000 2.096 542 D HA -0.141 4.499 4.640 -0.001 0.000 0.207 542 D C 0.475 176.760 176.300 -0.024 0.000 0.976 542 D CA 0.501 54.492 54.000 -0.016 0.000 0.875 542 D CB -0.679 40.123 40.800 0.003 0.000 1.009 542 D HN 0.010 nan 8.370 nan 0.000 0.449 543 R N 1.558 122.045 120.500 -0.022 0.000 2.643 543 R HA 0.196 4.535 4.340 -0.001 0.000 0.270 543 R C -1.873 174.401 176.300 -0.044 0.000 1.061 543 R CA -1.015 55.073 56.100 -0.020 0.000 1.107 543 R CB 0.421 30.723 30.300 0.003 0.000 0.999 543 R HN 0.282 nan 8.270 nan 0.000 0.460 544 P HA 0.100 nan 4.420 nan 0.000 0.231 544 P C -0.927 176.355 177.300 -0.030 0.000 1.811 544 P CA 0.261 63.339 63.100 -0.036 0.000 1.051 544 P CB -0.417 31.270 31.700 -0.022 0.000 1.951 545 I N -1.112 119.424 120.570 -0.056 0.000 2.656 545 I HA 0.623 4.793 4.170 -0.001 0.000 0.292 545 I C -1.458 174.608 176.117 -0.085 0.000 1.144 545 I CA -1.416 59.862 61.300 -0.036 0.000 1.038 545 I CB 2.652 40.658 38.000 0.010 0.000 1.244 545 I HN -0.285 nan 8.210 nan 0.000 0.420 546 V N 5.660 125.554 119.914 -0.033 0.000 2.656 546 V HA 0.645 4.765 4.120 -0.001 0.000 0.307 546 V C -0.419 175.705 176.094 0.049 0.000 1.051 546 V CA -0.674 61.607 62.300 -0.031 0.000 0.893 546 V CB 2.144 33.950 31.823 -0.028 0.000 0.999 546 V HN 0.610 nan 8.190 nan 0.000 0.426 547 V N 3.140 123.115 119.914 0.101 0.000 2.567 547 V HA 0.524 4.643 4.120 -0.001 0.000 0.298 547 V C -0.220 175.968 176.094 0.156 0.000 1.047 547 V CA -0.201 62.189 62.300 0.151 0.000 0.880 547 V CB 2.121 34.074 31.823 0.215 0.000 1.009 547 V HN 0.959 nan 8.190 nan 0.000 0.429 548 T N 3.137 117.768 114.554 0.128 0.000 2.912 548 T HA 0.878 5.228 4.350 -0.001 0.000 0.288 548 T C -0.149 174.633 174.700 0.137 0.000 1.030 548 T CA 0.035 62.220 62.100 0.142 0.000 1.020 548 T CB 1.734 70.678 68.868 0.128 0.000 1.056 548 T HN 1.066 nan 8.240 nan 0.000 0.480 549 G N 0.933 109.819 108.800 0.144 0.000 2.753 549 G HA2 0.749 4.708 3.960 -0.001 0.000 0.297 549 G HA3 0.749 4.708 3.960 -0.001 0.000 0.297 549 G C -1.452 173.512 174.900 0.107 0.000 1.430 549 G CA -0.170 45.002 45.100 0.119 0.000 1.040 549 G HN 1.019 nan 8.290 nan 0.000 0.530 550 A N 0.405 123.301 122.820 0.127 0.000 2.589 550 A HA 0.874 5.193 4.320 -0.001 0.000 0.296 550 A C -1.496 176.188 177.584 0.167 0.000 1.062 550 A CA -0.524 51.583 52.037 0.117 0.000 0.686 550 A CB 1.920 21.039 19.000 0.198 0.000 1.282 550 A HN 2.123 nan 8.150 nan 0.000 0.404 551 V N 2.525 122.518 119.914 0.131 0.000 2.735 551 V HA 0.939 5.059 4.120 -0.001 0.000 0.310 551 V C -1.327 174.859 176.094 0.153 0.000 1.061 551 V CA -0.497 61.862 62.300 0.100 0.000 0.913 551 V CB 1.714 33.552 31.823 0.026 0.000 1.005 551 V HN 1.625 nan 8.190 nan 0.000 0.428 552 Y N 3.422 123.774 120.300 0.086 0.000 2.689 552 Y HA 0.642 5.192 4.550 -0.000 0.000 0.333 552 Y C -0.984 174.977 175.900 0.103 0.000 1.190 552 Y CA -1.295 56.863 58.100 0.097 0.000 1.063 552 Y CB 1.680 40.186 38.460 0.077 0.000 1.294 552 Y HN 0.584 nan 8.280 nan 0.000 0.466 553 N N 2.087 120.959 118.700 0.286 0.000 2.577 553 N HA 0.293 5.033 4.740 -0.001 0.000 0.275 553 N C -2.441 173.264 175.510 0.326 0.000 1.091 553 N CA -0.231 52.952 53.050 0.222 0.000 0.843 553 N CB 1.647 40.248 38.487 0.189 0.000 1.295 553 N HN 0.835 nan 8.380 nan 0.000 0.530 554 L N 2.892 124.330 121.223 0.359 0.000 2.307 554 L HA 0.618 4.957 4.340 -0.001 0.000 0.284 554 L C -0.692 176.251 176.870 0.122 0.000 1.023 554 L CA 0.089 55.044 54.840 0.192 0.000 0.810 554 L CB 1.608 43.771 42.059 0.173 0.000 1.231 554 L HN 0.351 nan 8.230 nan 0.000 0.423 555 T N 4.543 119.101 114.554 0.007 0.000 2.841 555 T HA 0.329 4.678 4.350 -0.001 0.000 0.285 555 T C -0.748 173.874 174.700 -0.130 0.000 0.991 555 T CA -0.633 61.467 62.100 -0.000 0.000 0.966 555 T CB 1.223 70.131 68.868 0.066 0.000 0.962 555 T HN 0.526 nan 8.240 nan 0.000 0.438 556 K N 3.504 123.812 120.400 -0.153 0.000 2.354 556 K HA 0.386 4.705 4.320 -0.001 0.000 0.257 556 K C 0.179 176.747 176.600 -0.053 0.000 1.062 556 K CA -0.492 55.667 56.287 -0.215 0.000 0.971 556 K CB 0.279 32.555 32.500 -0.373 0.000 1.305 556 K HN 0.778 nan 8.250 nan 0.000 0.449 557 T N 1.073 115.607 114.554 -0.034 0.000 2.922 557 T HA 0.202 4.552 4.350 -0.001 0.000 0.285 557 T C 0.355 175.063 174.700 0.013 0.000 1.005 557 T CA -0.523 61.584 62.100 0.012 0.000 1.061 557 T CB 0.933 69.819 68.868 0.029 0.000 1.007 557 T HN 0.752 nan 8.240 nan 0.000 0.502 558 N N 0.404 119.119 118.700 0.025 0.000 2.783 558 N HA -0.200 4.540 4.740 -0.001 0.000 0.247 558 N C -0.791 174.720 175.510 0.003 0.000 1.089 558 N CA 0.581 53.642 53.050 0.019 0.000 0.690 558 N CB -1.712 36.792 38.487 0.029 0.000 0.991 558 N HN 0.896 nan 8.380 nan 0.000 0.552 559 N N -0.164 118.545 118.700 0.016 0.000 2.483 559 N HA 0.512 5.251 4.740 -0.001 0.000 0.269 559 N C 0.269 175.762 175.510 -0.029 0.000 1.209 559 N CA -0.360 52.702 53.050 0.019 0.000 0.969 559 N CB 0.613 39.152 38.487 0.086 0.000 1.173 559 N HN 0.291 nan 8.380 nan 0.000 0.475 563 D N 2.547 122.955 120.400 0.013 0.000 2.417 563 D HA 0.375 5.015 4.640 -0.001 0.000 0.250 563 D C -1.328 174.981 176.300 0.015 0.000 1.166 563 D CA -1.289 52.737 54.000 0.043 0.000 0.881 563 D CB 1.204 42.069 40.800 0.107 0.000 1.164 563 D HN 0.138 nan 8.370 nan 0.000 0.467 564 P HA -0.143 nan 4.420 nan 0.000 0.216 564 P C 0.719 178.026 177.300 0.012 0.000 1.150 564 P CA 1.027 64.125 63.100 -0.002 0.000 0.837 564 P CB 0.205 31.906 31.700 0.001 0.000 0.786 565 E N -0.886 119.334 120.200 0.033 0.000 2.409 565 E HA 0.025 4.375 4.350 -0.001 0.000 0.198 565 E C 1.095 177.724 176.600 0.050 0.000 1.024 565 E CA 0.935 57.361 56.400 0.043 0.000 0.861 565 E CB -0.939 28.797 29.700 0.060 0.000 0.788 565 E HN 0.224 nan 8.360 nan 0.000 0.521 566 G N 2.208 111.034 108.800 0.044 0.000 2.502 566 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.273 566 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.273 566 G C 0.110 175.059 174.900 0.082 0.000 1.021 566 G CA 0.501 45.624 45.100 0.039 0.000 1.333 566 G HN 0.423 nan 8.290 nan 0.000 0.508 567 S N 0.188 115.954 115.700 0.111 0.000 2.841 567 S HA 0.810 5.280 4.470 -0.001 0.000 0.318 567 S C 0.572 175.271 174.600 0.165 0.000 1.127 567 S CA -0.769 57.550 58.200 0.198 0.000 0.883 567 S CB 1.165 64.524 63.200 0.264 0.000 1.271 567 S HN 0.361 nan 8.310 nan 0.000 0.567 568 F N 0.079 119.962 119.950 -0.112 0.000 2.710 568 F HA 0.456 4.982 4.527 -0.001 0.000 0.298 568 F C 0.229 175.865 175.800 -0.273 0.000 1.137 568 F CA -0.680 57.175 58.000 -0.242 0.000 1.444 568 F CB -0.293 38.468 39.000 -0.397 0.000 1.111 568 F HN 0.315 nan 8.300 nan 0.000 0.580 569 F N -0.983 119.097 119.950 0.217 0.000 2.411 569 F HA 0.439 4.966 4.527 -0.001 0.000 0.324 569 F C 0.853 176.753 175.800 0.166 0.000 1.086 569 F CA -0.881 57.239 58.000 0.199 0.000 1.028 569 F CB 0.607 39.722 39.000 0.192 0.000 1.284 569 F HN -0.469 nan 8.300 nan 0.000 0.501 570 S N 0.033 116.010 115.700 0.463 0.000 2.621 570 S HA 0.800 5.270 4.470 -0.001 0.000 0.302 570 S C -0.828 173.875 174.600 0.172 0.000 1.093 570 S CA -0.761 57.564 58.200 0.208 0.000 1.017 570 S CB 2.075 65.317 63.200 0.069 0.000 1.077 570 S HN 0.280 nan 8.310 nan 0.000 0.517 571 V N 1.598 121.510 119.914 -0.002 0.000 2.960 571 V HA 0.496 4.616 4.120 -0.001 0.000 0.315 571 V C 0.084 176.077 176.094 -0.169 0.000 1.087 571 V CA -0.931 61.363 62.300 -0.010 0.000 0.982 571 V CB 1.904 33.752 31.823 0.042 0.000 1.039 571 V HN 1.034 nan 8.190 nan 0.000 0.437 572 E N 1.068 121.191 120.200 -0.128 0.000 2.446 572 E HA 0.731 5.081 4.350 -0.001 0.000 0.251 572 E C 0.715 177.294 176.600 -0.035 0.000 1.087 572 E CA -0.165 56.157 56.400 -0.131 0.000 0.937 572 E CB 1.396 31.037 29.700 -0.098 0.000 1.254 572 E HN 1.049 nan 8.360 nan 0.000 0.479 573 G N -0.789 108.003 108.800 -0.014 0.000 2.238 573 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.217 573 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.217 573 G C 0.605 175.518 174.900 0.023 0.000 0.996 573 G CA -0.199 44.909 45.100 0.013 0.000 0.632 573 G HN 0.863 nan 8.290 nan 0.000 0.503 574 G N -0.026 108.785 108.800 0.018 0.000 2.647 574 G HA2 0.420 4.380 3.960 -0.001 0.000 0.234 574 G HA3 0.420 4.380 3.960 -0.001 0.000 0.234 574 G C -0.169 174.778 174.900 0.078 0.000 1.252 574 G CA 0.968 46.102 45.100 0.057 0.000 0.846 574 G HN 0.721 nan 8.290 nan 0.000 0.589 575 E N -0.552 119.717 120.200 0.115 0.000 2.343 575 E HA 0.562 4.912 4.350 -0.001 0.000 0.278 575 E C -1.137 175.540 176.600 0.129 0.000 0.910 575 E CA -0.719 55.743 56.400 0.104 0.000 0.757 575 E CB 1.839 31.587 29.700 0.080 0.000 1.218 575 E HN 0.395 nan 8.360 nan 0.000 0.435 576 I N 2.818 123.450 120.570 0.105 0.000 2.619 576 I HA 0.451 4.620 4.170 -0.001 0.000 0.292 576 I C -0.577 175.629 176.117 0.147 0.000 1.100 576 I CA -0.825 60.519 61.300 0.072 0.000 1.043 576 I CB 2.151 40.165 38.000 0.024 0.000 1.239 576 I HN 0.359 nan 8.210 nan 0.000 0.420 577 R N 4.629 125.187 120.500 0.097 0.000 2.637 577 R HA 0.879 5.219 4.340 -0.001 0.000 0.291 577 R C -1.480 174.889 176.300 0.115 0.000 0.963 577 R CA -0.523 55.652 56.100 0.126 0.000 0.901 577 R CB 2.042 32.386 30.300 0.073 0.000 1.160 577 R HN 0.765 nan 8.270 nan 0.000 0.457 578 A N 5.372 128.317 122.820 0.208 0.000 2.410 578 A HA 0.433 4.753 4.320 -0.001 0.000 0.289 578 A C -0.996 176.690 177.584 0.171 0.000 1.200 578 A CA -0.952 51.194 52.037 0.182 0.000 0.751 578 A CB 0.700 19.928 19.000 0.380 0.000 1.161 578 A HN 0.885 nan 8.150 nan 0.000 0.459 579 R N 2.020 122.475 120.500 -0.076 0.000 2.599 579 R HA 0.874 5.213 4.340 -0.001 0.000 0.295 579 R C 0.063 176.067 176.300 -0.493 0.000 0.963 579 R CA -0.342 55.557 56.100 -0.336 0.000 0.883 579 R CB 2.014 32.220 30.300 -0.156 0.000 1.171 579 R HN 0.979 nan 8.270 nan 0.000 0.450 580 G N 0.706 108.936 108.800 -0.951 0.000 2.561 580 G HA2 0.485 4.445 3.960 -0.001 0.000 0.310 580 G HA3 0.485 4.445 3.960 -0.001 0.000 0.310 580 G C -1.773 172.985 174.900 -0.236 0.000 1.292 580 G CA -0.605 44.253 45.100 -0.402 0.000 0.811 580 G HN 0.390 nan 8.290 nan 0.000 0.482 581 V N 0.388 120.396 119.914 0.156 0.000 2.760 581 V HA 0.615 4.735 4.120 -0.001 0.000 0.309 581 V C -0.998 175.248 176.094 0.254 0.000 1.077 581 V CA -0.748 61.681 62.300 0.214 0.000 0.910 581 V CB 1.780 33.734 31.823 0.219 0.000 1.008 581 V HN 0.794 nan 8.190 nan 0.000 0.424 582 E N 5.088 125.436 120.200 0.246 0.000 2.256 582 E HA 0.718 5.068 4.350 -0.001 0.000 0.268 582 E C -1.077 175.636 176.600 0.188 0.000 0.877 582 E CA -0.649 55.867 56.400 0.194 0.000 0.757 582 E CB 3.060 32.857 29.700 0.162 0.000 1.183 582 E HN 0.747 nan 8.360 nan 0.000 0.418 583 I N -0.804 119.886 120.570 0.199 0.000 2.647 583 I HA 0.683 4.853 4.170 -0.001 0.000 0.295 583 I C -0.949 175.265 176.117 0.161 0.000 1.078 583 I CA -0.663 60.743 61.300 0.177 0.000 1.048 583 I CB 2.347 40.459 38.000 0.186 0.000 1.239 583 I HN 0.581 nan 8.210 nan 0.000 0.421 584 E N 4.575 124.856 120.200 0.134 0.000 2.390 584 E HA 0.827 5.177 4.350 -0.001 0.000 0.277 584 E C -2.052 174.617 176.600 0.114 0.000 0.939 584 E CA -1.078 55.396 56.400 0.123 0.000 0.769 584 E CB 2.547 32.306 29.700 0.097 0.000 1.251 584 E HN 1.022 nan 8.360 nan 0.000 0.450 585 A N 3.399 126.288 122.820 0.115 0.000 2.459 585 A HA 0.623 4.943 4.320 -0.001 0.000 0.296 585 A C -1.468 176.175 177.584 0.099 0.000 1.039 585 A CA -0.756 51.344 52.037 0.106 0.000 0.698 585 A CB 1.484 20.550 19.000 0.111 0.000 1.261 585 A HN 0.464 nan 8.150 nan 0.000 0.405 586 K N 0.761 121.207 120.400 0.077 0.000 2.482 586 K HA 0.798 5.118 4.320 -0.001 0.000 0.251 586 K C -0.688 175.945 176.600 0.055 0.000 0.936 586 K CA -0.408 55.918 56.287 0.065 0.000 0.791 586 K CB 2.562 35.085 32.500 0.038 0.000 1.213 586 K HN 1.153 nan 8.250 nan 0.000 0.428 587 A N 0.939 123.796 122.820 0.062 0.000 2.581 587 A HA 0.822 5.141 4.320 -0.001 0.000 0.290 587 A C -1.713 175.902 177.584 0.051 0.000 1.119 587 A CA -0.648 51.420 52.037 0.050 0.000 0.670 587 A CB 1.697 20.733 19.000 0.060 0.000 1.280 587 A HN 0.627 nan 8.150 nan 0.000 0.425 588 A N 0.628 123.471 122.820 0.038 0.000 3.204 588 A HA 0.535 4.854 4.320 -0.001 0.000 0.327 588 A C 0.328 177.932 177.584 0.034 0.000 0.998 588 A CA -0.313 51.745 52.037 0.036 0.000 0.891 588 A CB -0.848 18.165 19.000 0.021 0.000 1.061 588 A HN 0.836 nan 8.150 nan 0.000 0.478 589 L N 0.309 121.559 121.223 0.045 0.000 2.651 589 L HA -0.004 4.336 4.340 -0.001 0.000 0.236 589 L C 1.057 177.952 176.870 0.042 0.000 1.173 589 L CA 1.192 56.060 54.840 0.045 0.000 0.843 589 L CB -0.528 41.562 42.059 0.052 0.000 0.964 589 L HN 0.658 nan 8.230 nan 0.000 0.454 590 S N -2.418 113.302 115.700 0.034 0.000 2.688 590 S HA 0.439 4.908 4.470 -0.001 0.000 0.269 590 S C 0.076 174.677 174.600 0.003 0.000 1.060 590 S CA -0.124 58.089 58.200 0.023 0.000 0.844 590 S CB 0.546 63.781 63.200 0.059 0.000 1.095 590 S HN -0.045 nan 8.310 nan 0.000 0.466 591 A N 0.952 123.746 122.820 -0.044 0.000 2.235 591 A HA 0.311 4.631 4.320 -0.001 0.000 0.208 591 A C 1.578 179.185 177.584 0.040 0.000 1.172 591 A CA 1.468 53.452 52.037 -0.087 0.000 0.786 591 A CB -0.762 18.069 19.000 -0.282 0.000 0.804 591 A HN 1.518 nan 8.150 nan 0.000 0.479 592 S N -2.451 113.281 115.700 0.052 0.000 2.589 592 S HA 0.334 4.804 4.470 -0.001 0.000 0.235 592 S C 0.052 174.550 174.600 -0.170 0.000 1.051 592 S CA -0.004 58.175 58.200 -0.035 0.000 0.978 592 S CB 0.154 63.230 63.200 -0.207 0.000 0.929 592 S HN 0.048 nan 8.310 nan 0.000 0.523 593 V N 2.512 122.439 119.914 0.021 0.000 2.459 593 V HA 0.530 4.650 4.120 -0.001 0.000 0.295 593 V C -0.883 175.247 176.094 0.059 0.000 1.029 593 V CA -0.679 61.669 62.300 0.080 0.000 0.874 593 V CB 1.459 33.362 31.823 0.132 0.000 0.985 593 V HN 0.453 nan 8.190 nan 0.000 0.438 594 N N 2.235 120.974 118.700 0.064 0.000 2.225 594 N HA 0.827 5.566 4.740 -0.001 0.000 0.298 594 N C -1.501 174.078 175.510 0.115 0.000 1.076 594 N CA -0.630 52.477 53.050 0.096 0.000 0.792 594 N CB 2.818 41.387 38.487 0.137 0.000 1.498 594 N HN 0.544 nan 8.380 nan 0.000 0.474 595 V N -1.020 118.971 119.914 0.128 0.000 2.932 595 V HA 0.771 4.890 4.120 -0.001 0.000 0.307 595 V C -0.988 175.202 176.094 0.159 0.000 1.147 595 V CA -0.698 61.688 62.300 0.144 0.000 0.951 595 V CB 1.576 33.457 31.823 0.096 0.000 1.031 595 V HN 0.312 nan 8.190 nan 0.000 0.426 596 V N 2.145 122.182 119.914 0.205 0.000 2.808 596 V HA 1.031 5.150 4.120 -0.001 0.000 0.308 596 V C 0.409 176.650 176.094 0.245 0.000 1.099 596 V CA 0.465 62.873 62.300 0.180 0.000 0.920 596 V CB 1.902 33.790 31.823 0.108 0.000 1.014 596 V HN 1.598 nan 8.190 nan 0.000 0.425 597 G N 2.116 111.047 108.800 0.218 0.000 2.632 597 G HA2 0.787 4.746 3.960 -0.001 0.000 0.292 597 G HA3 0.787 4.746 3.960 -0.001 0.000 0.292 597 G C -1.094 173.927 174.900 0.201 0.000 1.465 597 G CA 0.133 45.378 45.100 0.241 0.000 0.824 597 G HN 1.327 nan 8.290 nan 0.000 0.509 598 S N -0.968 114.856 115.700 0.208 0.000 2.587 598 S HA 0.770 5.240 4.470 -0.001 0.000 0.269 598 S C -1.894 172.852 174.600 0.243 0.000 1.154 598 S CA -0.876 57.439 58.200 0.193 0.000 0.824 598 S CB 1.964 65.252 63.200 0.147 0.000 1.118 598 S HN 1.955 nan 8.310 nan 0.000 0.462 599 Y N 0.392 120.759 120.300 0.112 0.000 2.470 599 Y HA 0.693 5.243 4.550 -0.000 0.000 0.341 599 Y C -1.248 174.738 175.900 0.144 0.000 1.021 599 Y CA -0.183 57.993 58.100 0.127 0.000 1.025 599 Y CB 2.352 40.879 38.460 0.111 0.000 1.266 599 Y HN 0.936 nan 8.280 nan 0.000 0.448 600 T N 6.086 120.206 114.554 -0.723 0.000 2.881 600 T HA 0.287 4.637 4.350 -0.001 0.000 0.290 600 T C -2.215 172.153 174.700 -0.553 0.000 1.000 600 T CA -0.462 61.371 62.100 -0.445 0.000 0.978 600 T CB 0.799 69.552 68.868 -0.191 0.000 0.997 600 T HN 0.468 nan 8.240 nan 0.000 0.443 601 Y N 2.542 122.634 120.300 -0.346 0.000 2.328 601 Y HA 0.540 5.090 4.550 -0.001 0.000 0.333 601 Y C -0.574 175.242 175.900 -0.140 0.000 0.958 601 Y CA -0.684 57.296 58.100 -0.200 0.000 1.167 601 Y CB 1.154 39.640 38.460 0.043 0.000 1.151 601 Y HN 0.565 nan 8.280 nan 0.000 0.470 602 T N 6.229 120.403 114.554 -0.635 0.000 2.815 602 T HA 0.159 4.509 4.350 -0.001 0.000 0.289 602 T C -1.201 173.116 174.700 -0.639 0.000 1.000 602 T CA -0.702 61.114 62.100 -0.473 0.000 0.958 602 T CB 0.648 69.358 68.868 -0.262 0.000 0.944 602 T HN 0.623 nan 8.240 nan 0.000 0.442 603 D N 3.264 123.334 120.400 -0.550 0.000 2.460 603 D HA 0.429 5.069 4.640 -0.001 0.000 0.268 603 D C -0.404 175.752 176.300 -0.240 0.000 1.153 603 D CA -0.445 53.307 54.000 -0.414 0.000 0.929 603 D CB 0.554 41.146 40.800 -0.347 0.000 1.015 603 D HN 0.606 nan 8.370 nan 0.000 0.502 604 A N 3.136 125.808 122.820 -0.246 0.000 2.290 604 A HA 0.544 4.864 4.320 -0.001 0.000 0.310 604 A C -0.088 177.357 177.584 -0.231 0.000 1.202 604 A CA -0.464 51.425 52.037 -0.246 0.000 0.837 604 A CB 1.084 19.859 19.000 -0.375 0.000 1.139 604 A HN 0.597 nan 8.150 nan 0.000 0.509 605 E N 1.700 121.787 120.200 -0.189 0.000 2.372 605 E HA 0.363 4.713 4.350 -0.001 0.000 0.279 605 E C -1.828 174.712 176.600 -0.100 0.000 0.946 605 E CA -0.600 55.720 56.400 -0.134 0.000 0.769 605 E CB 1.212 30.878 29.700 -0.057 0.000 1.230 605 E HN 0.604 nan 8.360 nan 0.000 0.442 606 Y N 2.592 122.872 120.300 -0.032 0.000 2.637 606 Y HA 0.041 4.590 4.550 -0.001 0.000 0.350 606 Y C 1.550 177.460 175.900 0.015 0.000 1.069 606 Y CA 0.464 58.570 58.100 0.011 0.000 1.397 606 Y CB 0.977 39.456 38.460 0.032 0.000 1.163 606 Y HN 0.564 nan 8.280 nan 0.000 0.527 607 T N 1.251 115.893 114.554 0.148 0.000 2.639 607 T HA -0.071 4.279 4.350 -0.001 0.000 0.261 607 T C 0.464 175.225 174.700 0.102 0.000 1.053 607 T CA 1.427 63.588 62.100 0.101 0.000 1.158 607 T CB 0.002 68.919 68.868 0.081 0.000 0.863 607 T HN 0.454 nan 8.240 nan 0.000 0.413 608 T N 2.555 117.178 114.554 0.115 0.000 2.809 608 T HA 0.546 4.896 4.350 -0.001 0.000 0.284 608 T C -1.211 173.544 174.700 0.091 0.000 0.992 608 T CA -0.760 61.388 62.100 0.081 0.000 0.957 608 T CB 1.565 70.469 68.868 0.060 0.000 0.942 608 T HN 0.135 nan 8.240 nan 0.000 0.439 609 D N 1.604 122.022 120.400 0.030 0.000 2.812 609 D HA 0.153 4.793 4.640 -0.001 0.000 0.210 609 D C 0.879 177.104 176.300 -0.125 0.000 1.260 609 D CA -0.355 53.620 54.000 -0.041 0.000 0.817 609 D CB 2.247 42.997 40.800 -0.083 0.000 1.694 609 D HN 0.311 nan 8.370 nan 0.000 0.530 610 T N 1.733 116.198 114.554 -0.149 0.000 2.607 610 T HA -0.117 4.233 4.350 -0.001 0.000 0.267 610 T C 1.540 176.083 174.700 -0.261 0.000 1.049 610 T CA 2.302 64.302 62.100 -0.168 0.000 1.162 610 T CB 0.025 68.802 68.868 -0.153 0.000 0.863 610 T HN 0.482 nan 8.240 nan 0.000 0.424 611 T N -0.109 114.163 114.554 -0.470 0.000 3.021 611 T HA 0.087 4.436 4.350 -0.001 0.000 0.245 611 T C 0.772 175.050 174.700 -0.704 0.000 1.028 611 T CA 0.500 62.183 62.100 -0.695 0.000 1.139 611 T CB -0.107 68.068 68.868 -1.155 0.000 0.884 611 T HN 0.401 nan 8.240 nan 0.000 0.457 612 Y N 1.570 121.659 120.300 -0.352 0.000 2.708 612 Y HA 0.465 5.015 4.550 -0.001 0.000 0.287 612 Y C 0.619 176.325 175.900 -0.323 0.000 1.145 612 Y CA -1.633 56.199 58.100 -0.448 0.000 1.249 612 Y CB -0.491 37.454 38.460 -0.859 0.000 1.152 612 Y HN 0.017 nan 8.280 nan 0.000 0.532 613 K N 0.827 121.171 120.400 -0.093 0.000 2.550 613 K HA 0.139 4.459 4.320 -0.001 0.000 0.280 613 K C 1.413 178.037 176.600 0.040 0.000 0.987 613 K CA 1.458 57.752 56.287 0.011 0.000 1.048 613 K CB -0.064 32.430 32.500 -0.010 0.000 0.879 613 K HN 0.668 nan 8.250 nan 0.000 0.491 614 G N 2.344 111.195 108.800 0.085 0.000 2.245 614 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.264 614 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.264 614 G C -0.027 174.888 174.900 0.025 0.000 0.985 614 G CA 0.488 45.616 45.100 0.046 0.000 0.625 614 G HN 0.691 nan 8.290 nan 0.000 0.536 615 N N 0.981 119.723 118.700 0.070 0.000 2.483 615 N HA 0.571 5.311 4.740 -0.001 0.000 0.269 615 N C 0.461 175.999 175.510 0.046 0.000 1.209 615 N CA 0.698 53.737 53.050 -0.019 0.000 0.969 615 N CB 0.915 39.379 38.487 -0.038 0.000 1.173 615 N HN 0.473 nan 8.380 nan 0.000 0.475 616 T N -1.393 113.027 114.554 -0.224 0.000 2.829 616 T HA 0.496 4.845 4.350 -0.001 0.000 0.282 616 T C -2.677 171.909 174.700 -0.191 0.000 0.990 616 T CA -1.951 60.013 62.100 -0.228 0.000 1.028 616 T CB 1.554 70.266 68.868 -0.260 0.000 0.951 616 T HN 0.258 nan 8.240 nan 0.000 0.460 617 P HA 0.243 nan 4.420 nan 0.000 0.266 617 P C 0.136 177.347 177.300 -0.148 0.000 1.195 617 P CA -0.251 62.735 63.100 -0.190 0.000 0.768 617 P CB 0.291 31.767 31.700 -0.373 0.000 0.838 618 A N 3.174 125.923 122.820 -0.118 0.000 2.475 618 A HA -0.013 4.306 4.320 -0.001 0.000 0.239 618 A C 1.045 178.577 177.584 -0.085 0.000 1.087 618 A CA 0.313 52.289 52.037 -0.101 0.000 0.779 618 A CB -0.691 18.233 19.000 -0.127 0.000 1.036 618 A HN 0.709 nan 8.150 nan 0.000 0.506 619 Q N -2.759 116.995 119.800 -0.077 0.000 2.305 619 Q HA -0.191 4.148 4.340 -0.001 0.000 0.203 619 Q C -0.031 175.926 176.000 -0.072 0.000 0.663 619 Q CA 1.096 56.870 55.803 -0.049 0.000 1.389 619 Q CB -2.050 26.690 28.738 0.004 0.000 1.566 619 Q HN 1.177 nan 8.270 nan 0.000 0.755 620 V N 1.520 121.370 119.914 -0.108 0.000 2.313 620 V HA 0.473 4.593 4.120 -0.001 0.000 0.278 620 V C -2.131 173.874 176.094 -0.148 0.000 1.017 620 V CA -1.993 60.222 62.300 -0.141 0.000 0.823 620 V CB 1.357 33.060 31.823 -0.200 0.000 1.010 620 V HN 0.013 nan 8.190 nan 0.000 0.443 621 P HA 0.215 nan 4.420 nan 0.000 0.274 621 P C 0.076 177.239 177.300 -0.229 0.000 1.231 621 P CA -0.284 62.700 63.100 -0.193 0.000 0.790 621 P CB 1.466 33.028 31.700 -0.231 0.000 0.951 622 K N 0.560 120.812 120.400 -0.247 0.000 2.167 622 K HA -0.035 4.284 4.320 -0.001 0.000 0.203 622 K C 0.762 177.012 176.600 -0.583 0.000 1.052 622 K CA 0.881 56.909 56.287 -0.431 0.000 0.956 622 K CB 0.144 32.412 32.500 -0.387 0.000 0.735 622 K HN 0.592 nan 8.250 nan 0.000 0.451 626 S N 0.099 115.900 115.700 0.168 0.000 2.579 626 S HA 0.891 5.361 4.470 -0.001 0.000 0.272 626 S C -1.503 173.264 174.600 0.279 0.000 1.141 626 S CA -0.693 57.600 58.200 0.154 0.000 0.843 626 S CB 1.718 64.917 63.200 -0.002 0.000 1.122 626 S HN 2.226 nan 8.310 nan 0.000 0.468 627 L N 1.146 122.597 121.223 0.380 0.000 2.588 627 L HA 0.795 5.134 4.340 -0.001 0.000 0.263 627 L C -2.291 174.882 176.870 0.505 0.000 0.935 627 L CA -0.038 55.023 54.840 0.368 0.000 0.891 627 L CB 1.808 43.995 42.059 0.213 0.000 1.318 627 L HN 0.999 nan 8.230 nan 0.000 0.409 628 W N 4.764 126.194 121.300 0.217 0.000 3.022 628 W HA 0.848 5.507 4.660 -0.000 0.000 0.335 628 W C -1.257 175.292 176.519 0.050 0.000 1.133 628 W CA -0.148 57.270 57.345 0.121 0.000 1.219 628 W CB 2.337 31.732 29.460 -0.110 0.000 1.409 628 W HN 0.832 nan 8.180 nan 0.000 0.507 629 A N 4.432 126.958 122.820 -0.490 0.000 2.517 629 A HA 0.619 4.939 4.320 -0.001 0.000 0.297 629 A C -1.627 175.498 177.584 -0.764 0.000 1.050 629 A CA -0.679 51.139 52.037 -0.364 0.000 0.694 629 A CB 1.442 20.329 19.000 -0.188 0.000 1.277 629 A HN 0.540 nan 8.150 nan 0.000 0.400 630 D N 0.540 120.701 120.400 -0.398 0.000 2.671 630 D HA 0.546 5.185 4.640 -0.001 0.000 0.232 630 D C -1.460 174.790 176.300 -0.083 0.000 1.114 630 D CA -0.270 53.538 54.000 -0.320 0.000 0.858 630 D CB 2.069 42.818 40.800 -0.086 0.000 1.544 630 D HN 0.427 nan 8.370 nan 0.000 0.471 631 Y N 0.104 120.269 120.300 -0.227 0.000 2.462 631 Y HA 0.473 5.023 4.550 -0.001 0.000 0.346 631 Y C -1.137 174.570 175.900 -0.322 0.000 0.976 631 Y CA -0.235 57.709 58.100 -0.260 0.000 1.044 631 Y CB 2.496 40.748 38.460 -0.346 0.000 1.230 631 Y HN 0.388 nan 8.280 nan 0.000 0.455 632 T N 6.257 120.111 114.554 -1.167 0.000 2.863 632 T HA 0.499 4.849 4.350 -0.001 0.000 0.285 632 T C -1.399 172.555 174.700 -1.243 0.000 1.009 632 T CA -0.383 61.160 62.100 -0.928 0.000 0.989 632 T CB 0.545 69.022 68.868 -0.652 0.000 1.004 632 T HN 0.351 nan 8.240 nan 0.000 0.455 633 F N 1.650 121.247 119.950 -0.587 0.000 2.422 633 F HA 0.541 5.067 4.527 -0.001 0.000 0.333 633 F C 0.381 175.858 175.800 -0.537 0.000 1.095 633 F CA -1.069 56.750 58.000 -0.301 0.000 1.038 633 F CB 1.010 39.998 39.000 -0.021 0.000 1.156 633 F HN 0.606 nan 8.300 nan 0.000 0.483 634 F N -0.811 119.252 119.950 0.188 0.000 2.831 634 F HA 0.225 4.752 4.527 -0.001 0.000 0.334 634 F C -0.095 175.774 175.800 0.115 0.000 1.071 634 F CA -0.544 57.517 58.000 0.102 0.000 1.172 634 F CB 0.149 39.172 39.000 0.039 0.000 1.054 634 F HN 0.271 nan 8.300 nan 0.000 0.572 635 D N -0.593 120.003 120.400 0.327 0.000 2.392 635 D HA 0.575 5.214 4.640 -0.001 0.000 0.246 635 D C 0.698 177.075 176.300 0.128 0.000 1.013 635 D CA 0.128 54.255 54.000 0.211 0.000 0.993 635 D CB 0.926 41.853 40.800 0.212 0.000 1.219 635 D HN 0.214 nan 8.370 nan 0.000 0.538 636 G N 0.696 109.539 108.800 0.072 0.000 2.641 636 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.254 636 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.254 636 G C -1.625 173.272 174.900 -0.006 0.000 1.315 636 G CA -0.220 44.887 45.100 0.012 0.000 0.907 636 G HN 0.563 nan 8.290 nan 0.000 0.572 637 P HA 0.121 nan 4.420 nan 0.000 0.245 637 P C 1.333 178.599 177.300 -0.058 0.000 1.212 637 P CA 0.752 63.829 63.100 -0.038 0.000 0.774 637 P CB 0.027 31.694 31.700 -0.054 0.000 0.999 638 L N -0.777 120.366 121.223 -0.133 0.000 2.700 638 L HA 0.196 4.535 4.340 -0.001 0.000 0.234 638 L C 1.096 177.987 176.870 0.034 0.000 1.156 638 L CA -0.251 54.482 54.840 -0.178 0.000 0.946 638 L CB -0.114 41.520 42.059 -0.708 0.000 1.216 638 L HN -0.104 nan 8.230 nan 0.000 0.493 639 S N 0.632 116.377 115.700 0.075 0.000 2.546 639 S HA 0.274 4.743 4.470 -0.001 0.000 0.290 639 S C 1.318 175.964 174.600 0.075 0.000 1.290 639 S CA 0.787 59.041 58.200 0.090 0.000 1.069 639 S CB 0.377 63.627 63.200 0.083 0.000 0.846 639 S HN 0.689 nan 8.310 nan 0.000 0.495 640 G N 2.807 111.569 108.800 -0.064 0.000 2.147 640 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.244 640 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.244 640 G C -0.357 174.561 174.900 0.030 0.000 1.005 640 G CA 0.368 45.384 45.100 -0.139 0.000 0.713 640 G HN 1.081 nan 8.290 nan 0.000 0.515 641 L N 1.159 122.466 121.223 0.140 0.000 2.325 641 L HA 0.853 5.193 4.340 -0.001 0.000 0.281 641 L C -0.083 176.858 176.870 0.120 0.000 1.004 641 L CA -0.341 54.656 54.840 0.262 0.000 0.823 641 L CB 2.051 44.310 42.059 0.333 0.000 1.236 641 L HN 0.053 nan 8.230 nan 0.000 0.415 642 T N 6.396 120.981 114.554 0.051 0.000 2.807 642 T HA 0.632 4.982 4.350 -0.001 0.000 0.279 642 T C -0.599 174.107 174.700 0.009 0.000 0.993 642 T CA -0.320 61.756 62.100 -0.040 0.000 0.970 642 T CB 1.051 69.883 68.868 -0.061 0.000 0.950 642 T HN 0.465 nan 8.240 nan 0.000 0.441 643 L N 2.732 123.950 121.223 -0.009 0.000 2.376 643 L HA 0.776 5.115 4.340 -0.001 0.000 0.275 643 L C 0.365 177.170 176.870 -0.107 0.000 0.987 643 L CA -0.773 54.059 54.840 -0.013 0.000 0.828 643 L CB 1.894 43.983 42.059 0.049 0.000 1.249 643 L HN 0.797 nan 8.230 nan 0.000 0.409 644 G N 0.469 109.173 108.800 -0.159 0.000 2.619 644 G HA2 0.701 4.661 3.960 -0.001 0.000 0.296 644 G HA3 0.701 4.661 3.960 -0.001 0.000 0.296 644 G C -1.417 173.208 174.900 -0.458 0.000 1.334 644 G CA -0.367 44.444 45.100 -0.480 0.000 0.934 644 G HN 0.386 nan 8.290 nan 0.000 0.476 645 T N -1.492 112.549 114.554 -0.855 0.000 2.802 645 T HA 0.801 5.151 4.350 -0.001 0.000 0.311 645 T C -0.412 173.873 174.700 -0.693 0.000 1.405 645 T CA 0.444 62.274 62.100 -0.450 0.000 1.016 645 T CB 1.590 70.335 68.868 -0.206 0.000 1.352 645 T HN 1.906 nan 8.240 nan 0.000 0.498 646 G N -0.260 108.526 108.800 -0.024 0.000 2.506 646 G HA2 0.628 4.588 3.960 -0.001 0.000 0.292 646 G HA3 0.628 4.588 3.960 -0.001 0.000 0.292 646 G C -0.851 174.297 174.900 0.413 0.000 1.425 646 G CA -0.019 45.258 45.100 0.294 0.000 0.788 646 G HN 0.997 nan 8.290 nan 0.000 0.490 647 G N -0.628 108.396 108.800 0.373 0.000 2.571 647 G HA2 0.690 4.650 3.960 -0.001 0.000 0.304 647 G HA3 0.690 4.650 3.960 -0.001 0.000 0.304 647 G C -1.054 173.933 174.900 0.146 0.000 1.314 647 G CA -0.818 44.427 45.100 0.241 0.000 0.975 647 G HN 0.556 nan 8.290 nan 0.000 0.485 648 R N 0.401 120.937 120.500 0.060 0.000 2.439 648 R HA 0.331 4.671 4.340 -0.001 0.000 0.310 648 R C -1.727 174.624 176.300 0.085 0.000 0.955 648 R CA -0.795 55.285 56.100 -0.034 0.000 0.853 648 R CB 2.409 32.610 30.300 -0.165 0.000 1.171 648 R HN 0.572 nan 8.270 nan 0.000 0.449 649 Y N 1.589 121.864 120.300 -0.042 0.000 2.341 649 Y HA 0.357 4.906 4.550 -0.001 0.000 0.337 649 Y C -0.829 174.991 175.900 -0.133 0.000 1.014 649 Y CA -0.381 57.683 58.100 -0.060 0.000 1.111 649 Y CB 1.963 40.416 38.460 -0.013 0.000 1.194 649 Y HN 0.443 nan 8.280 nan 0.000 0.462 650 T N 5.972 119.936 114.554 -0.983 0.000 2.864 650 T HA 0.472 4.821 4.350 -0.001 0.000 0.299 650 T C 0.276 174.185 174.700 -1.319 0.000 1.011 650 T CA -0.440 61.054 62.100 -1.009 0.000 0.975 650 T CB 0.796 69.048 68.868 -1.028 0.000 0.962 650 T HN 0.989 nan 8.240 nan 0.000 0.448 651 G N 2.244 110.458 108.800 -0.976 0.000 2.684 651 G HA2 0.418 4.378 3.960 -0.001 0.000 0.255 651 G HA3 0.418 4.378 3.960 -0.001 0.000 0.255 651 G C 0.472 175.129 174.900 -0.405 0.000 1.219 651 G CA -0.599 44.153 45.100 -0.580 0.000 0.901 651 G HN 0.813 nan 8.290 nan 0.000 0.548 652 S N -1.128 114.434 115.700 -0.229 0.000 2.584 652 S HA 0.552 5.022 4.470 -0.001 0.000 0.270 652 S C 0.357 174.806 174.600 -0.252 0.000 1.346 652 S CA 0.321 58.389 58.200 -0.220 0.000 1.018 652 S CB 1.126 64.221 63.200 -0.177 0.000 0.899 652 S HN 1.637 nan 8.310 nan 0.000 0.542 653 S N 0.444 115.968 115.700 -0.294 0.000 2.671 653 S HA 0.609 5.078 4.470 -0.001 0.000 0.277 653 S C -1.555 172.771 174.600 -0.457 0.000 1.165 653 S CA -0.997 57.028 58.200 -0.292 0.000 0.822 653 S CB 0.188 63.282 63.200 -0.177 0.000 1.150 653 S HN 0.683 nan 8.310 nan 0.000 0.479 654 Y N 0.326 120.470 120.300 -0.261 0.000 2.299 654 Y HA 0.564 5.114 4.550 -0.001 0.000 0.326 654 Y C 1.577 177.189 175.900 -0.480 0.000 1.164 654 Y CA 0.255 58.136 58.100 -0.365 0.000 1.234 654 Y CB 1.142 39.428 38.460 -0.290 0.000 1.219 654 Y HN 0.983 nan 8.280 nan 0.000 0.497 655 G N 1.222 109.580 108.800 -0.737 0.000 3.434 655 G HA2 0.229 4.189 3.960 -0.001 0.000 0.258 655 G HA3 0.229 4.189 3.960 -0.001 0.000 0.258 655 G C -0.867 173.688 174.900 -0.575 0.000 1.128 655 G CA 0.100 44.686 45.100 -0.857 0.000 0.792 655 G HN 0.691 nan 8.290 nan 0.000 0.539 656 D N -2.635 117.533 120.400 -0.387 0.000 2.720 656 D HA 0.117 4.756 4.640 -0.001 0.000 0.239 656 D C -2.751 173.377 176.300 -0.288 0.000 1.218 656 D CA -1.256 52.577 54.000 -0.277 0.000 0.748 656 D CB 0.939 41.645 40.800 -0.157 0.000 1.387 656 D HN -0.139 nan 8.370 nan 0.000 0.438 657 P HA -0.050 nan 4.420 nan 0.000 0.216 657 P C 1.247 178.034 177.300 -0.855 0.000 1.150 657 P CA 2.617 65.244 63.100 -0.789 0.000 0.843 657 P CB 0.086 31.120 31.700 -1.110 0.000 0.787 658 A N -1.000 121.581 122.820 -0.399 0.000 2.168 658 A HA -0.111 4.209 4.320 -0.001 0.000 0.215 658 A C 0.853 178.391 177.584 -0.077 0.000 1.152 658 A CA 0.773 52.771 52.037 -0.066 0.000 0.716 658 A CB -1.469 17.570 19.000 0.065 0.000 0.794 658 A HN 0.262 nan 8.150 nan 0.000 0.465 659 N N -1.073 117.543 118.700 -0.139 0.000 2.725 659 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 659 N C 1.051 176.617 175.510 0.093 0.000 1.103 659 N CA 0.397 53.417 53.050 -0.050 0.000 0.707 659 N CB -1.131 37.166 38.487 -0.316 0.000 1.043 659 N HN 0.544 nan 8.380 nan 0.000 0.553 660 S N 0.219 115.973 115.700 0.089 0.000 2.398 660 S HA -0.130 4.340 4.470 -0.001 0.000 0.220 660 S C 0.684 175.422 174.600 0.230 0.000 1.038 660 S CA 1.666 59.966 58.200 0.167 0.000 1.080 660 S CB 0.041 63.372 63.200 0.218 0.000 1.039 660 S HN 0.434 nan 8.310 nan 0.000 0.419 661 F N 0.299 120.235 119.950 -0.022 0.000 2.535 661 F HA 0.858 5.385 4.527 -0.001 0.000 0.367 661 F C -0.340 175.409 175.800 -0.084 0.000 1.096 661 F CA -1.600 56.369 58.000 -0.052 0.000 1.088 661 F CB 0.679 39.625 39.000 -0.091 0.000 1.387 661 F HN -0.035 nan 8.300 nan 0.000 0.494 662 K N 0.698 120.933 120.400 -0.274 0.000 2.464 662 K HA 0.623 4.942 4.320 -0.001 0.000 0.253 662 K C -1.793 174.626 176.600 -0.300 0.000 0.933 662 K CA -1.099 54.897 56.287 -0.486 0.000 0.801 662 K CB 2.854 35.068 32.500 -0.478 0.000 1.271 662 K HN 0.491 nan 8.250 nan 0.000 0.430 663 V N 1.812 121.525 119.914 -0.336 0.000 2.432 663 V HA 0.297 4.417 4.120 -0.001 0.000 0.275 663 V C 0.718 176.753 176.094 -0.098 0.000 1.043 663 V CA -0.614 61.601 62.300 -0.141 0.000 0.925 663 V CB 1.264 33.017 31.823 -0.116 0.000 0.985 663 V HN 0.921 nan 8.190 nan 0.000 0.466 664 G N 3.454 112.256 108.800 0.004 0.000 2.527 664 G HA2 0.403 4.362 3.960 -0.001 0.000 0.248 664 G HA3 0.403 4.362 3.960 -0.001 0.000 0.248 664 G C 0.447 175.366 174.900 0.032 0.000 1.231 664 G CA 0.111 45.222 45.100 0.017 0.000 0.838 664 G HN 0.938 nan 8.290 nan 0.000 0.570 665 S N -0.112 115.548 115.700 -0.067 0.000 2.598 665 S HA 0.585 5.054 4.470 -0.001 0.000 0.256 665 S C -0.377 174.173 174.600 -0.082 0.000 1.350 665 S CA 0.317 58.362 58.200 -0.258 0.000 0.984 665 S CB 0.449 63.541 63.200 -0.181 0.000 0.930 665 S HN 1.453 nan 8.310 nan 0.000 0.577 666 Y N -3.848 116.386 120.300 -0.110 0.000 2.662 666 Y HA 0.652 5.202 4.550 -0.000 0.000 0.334 666 Y C -1.147 174.702 175.900 -0.085 0.000 1.185 666 Y CA -1.178 56.874 58.100 -0.081 0.000 1.074 666 Y CB 0.635 38.992 38.460 -0.171 0.000 1.330 666 Y HN 0.660 nan 8.280 nan 0.000 0.458 667 T N 2.027 116.703 114.554 0.202 0.000 2.928 667 T HA 0.635 4.985 4.350 -0.001 0.000 0.296 667 T C -1.410 173.354 174.700 0.107 0.000 1.000 667 T CA -0.690 61.526 62.100 0.192 0.000 0.989 667 T CB 1.690 70.707 68.868 0.248 0.000 1.005 667 T HN 0.639 nan 8.240 nan 0.000 0.442 668 V N 3.533 123.490 119.914 0.071 0.000 2.555 668 V HA 0.569 4.689 4.120 -0.001 0.000 0.302 668 V C -0.160 176.003 176.094 0.114 0.000 1.038 668 V CA -0.726 61.602 62.300 0.047 0.000 0.887 668 V CB 2.015 33.818 31.823 -0.033 0.000 0.991 668 V HN 0.713 nan 8.190 nan 0.000 0.434 669 V N 3.719 123.700 119.914 0.112 0.000 2.532 669 V HA 0.519 4.639 4.120 -0.001 0.000 0.295 669 V C -0.497 175.648 176.094 0.085 0.000 1.041 669 V CA -0.594 61.765 62.300 0.097 0.000 0.926 669 V CB 1.876 33.695 31.823 -0.006 0.000 0.992 669 V HN 0.850 nan 8.190 nan 0.000 0.457 670 D N 2.504 123.034 120.400 0.216 0.000 2.342 670 D HA 0.769 5.408 4.640 -0.001 0.000 0.243 670 D C -0.354 176.103 176.300 0.262 0.000 1.019 670 D CA -0.093 54.079 54.000 0.286 0.000 0.864 670 D CB 2.518 43.627 40.800 0.515 0.000 1.315 670 D HN 0.721 nan 8.370 nan 0.000 0.468 671 A N 1.150 124.079 122.820 0.182 0.000 2.469 671 A HA 0.764 5.084 4.320 -0.001 0.000 0.299 671 A C -1.588 176.065 177.584 0.116 0.000 1.098 671 A CA -0.637 51.462 52.037 0.104 0.000 0.737 671 A CB 1.715 20.712 19.000 -0.005 0.000 1.312 671 A HN 0.399 nan 8.150 nan 0.000 0.414 672 L N 1.236 122.496 121.223 0.061 0.000 2.482 672 L HA 0.754 5.094 4.340 -0.001 0.000 0.263 672 L C -1.401 175.431 176.870 -0.063 0.000 0.957 672 L CA -0.420 54.413 54.840 -0.013 0.000 0.836 672 L CB 2.296 44.446 42.059 0.152 0.000 1.324 672 L HN 1.225 nan 8.230 nan 0.000 0.406 673 V N 2.112 121.945 119.914 -0.134 0.000 2.462 673 V HA 0.749 4.868 4.120 -0.001 0.000 0.288 673 V C -0.580 175.463 176.094 -0.086 0.000 1.020 673 V CA -0.566 61.689 62.300 -0.074 0.000 0.857 673 V CB 1.305 33.094 31.823 -0.056 0.000 1.013 673 V HN 0.944 nan 8.190 nan 0.000 0.431 674 R N 3.375 123.860 120.500 -0.025 0.000 2.732 674 R HA 0.751 5.091 4.340 -0.001 0.000 0.278 674 R C -1.926 174.450 176.300 0.126 0.000 0.976 674 R CA -0.797 55.310 56.100 0.011 0.000 0.963 674 R CB 1.995 32.293 30.300 -0.004 0.000 1.150 674 R HN 0.858 nan 8.270 nan 0.000 0.478 675 Y N 2.662 122.940 120.300 -0.037 0.000 2.315 675 Y HA 0.212 4.762 4.550 -0.001 0.000 0.324 675 Y C -1.154 174.736 175.900 -0.016 0.000 1.062 675 Y CA -1.466 56.620 58.100 -0.024 0.000 1.159 675 Y CB 1.222 39.675 38.460 -0.011 0.000 1.145 675 Y HN 0.631 nan 8.280 nan 0.000 0.442 676 D N 4.914 125.075 120.400 -0.398 0.000 2.450 676 D HA -0.022 4.618 4.640 -0.001 0.000 0.247 676 D C 0.315 176.265 176.300 -0.583 0.000 1.162 676 D CA 0.359 54.134 54.000 -0.374 0.000 0.879 676 D CB 1.169 41.803 40.800 -0.276 0.000 1.163 676 D HN 0.692 nan 8.370 nan 0.000 0.472 677 L N 4.436 125.485 121.223 -0.290 0.000 2.645 677 L HA 0.144 4.484 4.340 -0.001 0.000 0.234 677 L C 2.039 178.830 176.870 -0.131 0.000 1.165 677 L CA 0.261 54.985 54.840 -0.193 0.000 0.944 677 L CB -0.787 41.271 42.059 -0.001 0.000 1.149 677 L HN 0.571 nan 8.230 nan 0.000 0.446 678 A N -0.232 122.492 122.820 -0.159 0.000 1.883 678 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 678 A C 2.089 179.637 177.584 -0.060 0.000 1.186 678 A CA 1.152 53.137 52.037 -0.086 0.000 0.624 678 A CB -0.380 18.575 19.000 -0.074 0.000 0.822 678 A HN 0.424 nan 8.150 nan 0.000 0.444 679 R N -0.709 119.743 120.500 -0.079 0.000 2.500 679 R HA 0.102 4.441 4.340 -0.001 0.000 0.212 679 R C -0.404 175.905 176.300 0.014 0.000 1.330 679 R CA 0.521 56.613 56.100 -0.014 0.000 1.262 679 R CB -0.233 30.080 30.300 0.021 0.000 0.998 679 R HN 0.336 nan 8.270 nan 0.000 0.484 680 V N -1.288 118.627 119.914 0.002 0.000 3.590 680 V HA 0.229 4.349 4.120 -0.001 0.000 0.389 680 V C 0.496 176.591 176.094 0.002 0.000 1.545 680 V CA 0.011 62.322 62.300 0.017 0.000 1.448 680 V CB 0.578 32.424 31.823 0.038 0.000 1.105 680 V HN 0.580 nan 8.190 nan 0.000 0.537 684 G N -0.074 108.722 108.800 -0.007 0.000 2.304 684 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.252 684 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.252 684 G C 0.729 175.636 174.900 0.011 0.000 1.014 684 G CA 0.992 46.098 45.100 0.010 0.000 0.619 684 G HN 1.759 nan 8.290 nan 0.000 0.525 685 S N 1.563 117.269 115.700 0.008 0.000 2.672 685 S HA 0.675 5.144 4.470 -0.001 0.000 0.276 685 S C 0.156 174.749 174.600 -0.012 0.000 1.207 685 S CA 0.117 58.336 58.200 0.032 0.000 1.002 685 S CB 1.501 64.782 63.200 0.135 0.000 0.998 685 S HN 1.145 nan 8.310 nan 0.000 0.542 686 N N -0.923 117.753 118.700 -0.040 0.000 3.185 686 N HA 0.354 5.093 4.740 -0.001 0.000 0.238 686 N C -2.189 173.292 175.510 -0.048 0.000 1.451 686 N CA -0.566 52.458 53.050 -0.044 0.000 0.888 686 N CB 0.970 39.434 38.487 -0.038 0.000 1.413 686 N HN 0.353 nan 8.380 nan 0.000 0.511 687 V N -0.393 119.536 119.914 0.026 0.000 2.656 687 V HA 0.916 5.036 4.120 -0.001 0.000 0.307 687 V C -0.413 175.711 176.094 0.051 0.000 1.051 687 V CA -0.420 61.906 62.300 0.044 0.000 0.893 687 V CB 1.084 32.976 31.823 0.115 0.000 0.999 687 V HN 1.129 nan 8.190 nan 0.000 0.426 688 A N 4.032 126.866 122.820 0.022 0.000 2.587 688 A HA 0.947 5.267 4.320 -0.001 0.000 0.293 688 A C -1.926 175.602 177.584 -0.093 0.000 1.087 688 A CA -0.575 51.427 52.037 -0.058 0.000 0.692 688 A CB 1.901 20.848 19.000 -0.089 0.000 1.291 688 A HN 0.841 nan 8.150 nan 0.000 0.407 689 L N 1.813 122.898 121.223 -0.230 0.000 2.381 689 L HA 0.613 4.952 4.340 -0.001 0.000 0.274 689 L C -1.115 175.564 176.870 -0.317 0.000 0.988 689 L CA -0.020 54.730 54.840 -0.151 0.000 0.824 689 L CB 1.376 43.389 42.059 -0.078 0.000 1.263 689 L HN 0.770 nan 8.230 nan 0.000 0.410 690 H N 4.323 123.395 119.070 0.003 0.000 2.538 690 H HA 0.696 5.251 4.556 -0.001 0.000 0.353 690 H C -1.209 174.126 175.328 0.012 0.000 1.109 690 H CA -0.778 55.276 56.048 0.011 0.000 1.192 690 H CB 2.397 32.160 29.762 0.002 0.000 1.555 690 H HN 0.358 nan 8.280 nan 0.000 0.518 691 V N 3.335 123.324 119.914 0.126 0.000 2.638 691 V HA 0.184 4.304 4.120 -0.001 0.000 0.306 691 V C -0.662 175.488 176.094 0.094 0.000 1.052 691 V CA -0.896 61.447 62.300 0.072 0.000 0.885 691 V CB 1.995 33.825 31.823 0.011 0.000 0.999 691 V HN 0.744 nan 8.190 nan 0.000 0.424 692 N N 3.517 122.265 118.700 0.079 0.000 2.342 692 N HA 0.512 5.252 4.740 -0.001 0.000 0.293 692 N C -0.135 175.413 175.510 0.064 0.000 1.026 692 N CA -0.589 52.519 53.050 0.097 0.000 0.857 692 N CB 0.990 39.540 38.487 0.105 0.000 1.256 692 N HN 0.692 nan 8.380 nan 0.000 0.484 693 N N 1.373 120.109 118.700 0.060 0.000 2.753 693 N HA -0.155 4.585 4.740 -0.001 0.000 0.252 693 N C 0.273 175.769 175.510 -0.023 0.000 1.071 693 N CA 0.014 53.095 53.050 0.052 0.000 0.690 693 N CB -0.848 37.710 38.487 0.118 0.000 0.906 693 N HN 0.642 nan 8.380 nan 0.000 0.552 694 L N 0.306 121.435 121.223 -0.157 0.000 2.021 694 L HA -0.076 4.263 4.340 -0.001 0.000 0.215 694 L C 1.348 178.042 176.870 -0.294 0.000 1.074 694 L CA 2.133 56.780 54.840 -0.322 0.000 0.760 694 L CB -0.537 41.151 42.059 -0.619 0.000 0.889 694 L HN 0.398 nan 8.230 nan 0.000 0.433 695 F N 0.084 120.062 119.950 0.048 0.000 2.696 695 F HA 0.157 4.684 4.527 -0.000 0.000 0.296 695 F C 1.082 176.905 175.800 0.038 0.000 1.181 695 F CA -0.500 57.523 58.000 0.038 0.000 1.411 695 F CB -1.497 37.524 39.000 0.036 0.000 1.014 695 F HN 0.111 nan 8.300 nan 0.000 0.512 696 D N 2.007 122.490 120.400 0.138 0.000 2.764 696 D HA -0.289 4.350 4.640 -0.001 0.000 0.223 696 D C 0.837 177.214 176.300 0.129 0.000 1.207 696 D CA 0.397 54.458 54.000 0.101 0.000 0.614 696 D CB -0.395 40.439 40.800 0.056 0.000 1.007 696 D HN 0.427 nan 8.370 nan 0.000 0.407 697 R N 0.526 121.136 120.500 0.184 0.000 2.679 697 R HA 0.110 4.450 4.340 -0.001 0.000 0.268 697 R C 0.043 176.487 176.300 0.241 0.000 1.044 697 R CA 0.202 56.417 56.100 0.193 0.000 1.105 697 R CB 0.556 30.954 30.300 0.164 0.000 0.989 697 R HN 0.149 nan 8.270 nan 0.000 0.447 698 E N 3.489 123.803 120.200 0.190 0.000 2.092 698 E HA 0.183 4.533 4.350 -0.001 0.000 0.271 698 E C -1.629 175.158 176.600 0.313 0.000 0.919 698 E CA -0.567 55.896 56.400 0.105 0.000 0.760 698 E CB 1.040 30.706 29.700 -0.056 0.000 1.106 698 E HN 0.455 nan 8.360 nan 0.000 0.408 699 Y N -0.835 119.520 120.300 0.093 0.000 2.513 699 Y HA 0.443 4.993 4.550 -0.000 0.000 0.340 699 Y C -0.948 175.086 175.900 0.223 0.000 1.055 699 Y CA -1.453 56.711 58.100 0.108 0.000 1.020 699 Y CB 0.282 38.568 38.460 -0.291 0.000 1.301 699 Y HN 0.044 nan 8.280 nan 0.000 0.453 700 V N 4.216 124.269 119.914 0.231 0.000 2.455 700 V HA 0.356 4.476 4.120 -0.001 0.000 0.273 700 V C 1.214 177.351 176.094 0.071 0.000 1.045 700 V CA 0.642 62.936 62.300 -0.010 0.000 0.976 700 V CB 0.503 32.220 31.823 -0.177 0.000 0.993 700 V HN 1.151 nan 8.190 nan 0.000 0.475 701 A N 4.864 127.688 122.820 0.007 0.000 1.902 701 A HA 0.111 4.431 4.320 -0.001 0.000 0.217 701 A C 1.060 178.805 177.584 0.269 0.000 1.181 701 A CA 1.563 53.699 52.037 0.166 0.000 0.623 701 A CB -0.099 18.974 19.000 0.122 0.000 0.818 701 A HN 1.242 nan 8.150 nan 0.000 0.443 702 S N -4.644 111.156 115.700 0.168 0.000 2.655 702 S HA 0.467 4.937 4.470 -0.001 0.000 0.263 702 S C -1.131 173.468 174.600 -0.002 0.000 1.091 702 S CA -0.510 57.747 58.200 0.096 0.000 0.865 702 S CB 0.300 63.579 63.200 0.132 0.000 1.146 702 S HN 0.833 nan 8.310 nan 0.000 0.482 703 c N 1.156 119.697 118.600 -0.097 0.000 2.985 703 c HA 0.704 5.273 4.570 -0.001 0.000 0.314 703 c C 0.533 174.489 174.090 -0.223 0.000 1.215 703 c CA -0.839 55.318 56.329 -0.287 0.000 1.414 703 c CB 0.661 43.010 42.510 -0.269 0.000 1.842 703 c HN 1.028 nan 8.230 nan 0.000 0.477 704 F N 0.116 119.876 119.950 -0.318 0.000 2.704 704 F HA 0.481 5.008 4.527 -0.001 0.000 0.304 704 F C 0.373 175.940 175.800 -0.389 0.000 1.094 704 F CA 0.042 57.868 58.000 -0.289 0.000 1.275 704 F CB -0.021 38.830 39.000 -0.249 0.000 1.073 704 F HN 0.537 nan 8.300 nan 0.000 0.586 705 N N -0.312 117.685 118.700 -1.171 0.000 3.322 705 N HA 0.031 4.771 4.740 -0.001 0.000 0.233 705 N C 0.794 175.756 175.510 -0.914 0.000 1.399 705 N CA 0.568 52.977 53.050 -1.068 0.000 0.894 705 N CB 1.444 38.974 38.487 -1.596 0.000 1.440 705 N HN 0.011 nan 8.380 nan 0.000 0.503 706 T N -1.034 113.165 114.554 -0.591 0.000 2.822 706 T HA -0.213 4.136 4.350 -0.001 0.000 0.270 706 T C 1.429 175.796 174.700 -0.555 0.000 1.064 706 T CA 1.864 63.663 62.100 -0.501 0.000 1.131 706 T CB -0.592 68.044 68.868 -0.387 0.000 0.858 706 T HN 0.612 nan 8.240 nan 0.000 0.483 707 Y N -0.161 119.854 120.300 -0.475 0.000 2.467 707 Y HA 0.695 5.244 4.550 -0.001 0.000 0.250 707 Y C 1.060 176.630 175.900 -0.549 0.000 1.155 707 Y CA -1.653 56.196 58.100 -0.419 0.000 1.249 707 Y CB -0.213 38.032 38.460 -0.357 0.000 1.146 707 Y HN 0.197 nan 8.280 nan 0.000 0.524 708 G N 0.965 109.119 108.800 -1.076 0.000 4.106 708 G HA2 0.473 4.433 3.960 -0.001 0.000 0.344 708 G HA3 0.473 4.433 3.960 -0.001 0.000 0.344 708 G C -1.257 172.901 174.900 -1.237 0.000 1.477 708 G CA -0.305 43.983 45.100 -1.354 0.000 1.068 708 G HN 0.255 nan 8.290 nan 0.000 0.488 709 c N 0.777 118.809 118.600 -0.947 0.000 2.529 709 c HA 0.814 5.384 4.570 -0.001 0.000 0.329 709 c C -0.831 172.670 174.090 -0.983 0.000 1.194 709 c CA -0.723 55.095 56.329 -0.851 0.000 1.779 709 c CB 0.800 43.007 42.510 -0.505 0.000 2.322 709 c HN 0.578 nan 8.230 nan 0.000 0.500 710 F N 0.136 120.025 119.950 -0.101 0.000 2.536 710 F HA 0.353 4.880 4.527 -0.001 0.000 0.322 710 F C -0.188 175.569 175.800 -0.073 0.000 1.144 710 F CA -0.763 57.230 58.000 -0.012 0.000 0.924 710 F CB 0.545 39.593 39.000 0.080 0.000 1.181 710 F HN 0.637 nan 8.300 nan 0.000 0.438 711 W N 2.211 123.567 121.300 0.093 0.000 2.193 711 W HA 0.418 5.077 4.660 -0.001 0.000 0.338 711 W C 1.097 177.478 176.519 -0.230 0.000 1.310 711 W CA -0.233 57.051 57.345 -0.101 0.000 1.243 711 W CB 0.685 30.079 29.460 -0.109 0.000 1.165 711 W HN 0.735 nan 8.180 nan 0.000 0.566 712 G N 1.243 109.886 108.800 -0.262 0.000 2.611 712 G HA2 0.444 4.404 3.960 -0.001 0.000 0.273 712 G HA3 0.444 4.404 3.960 -0.001 0.000 0.273 712 G C -0.824 173.804 174.900 -0.454 0.000 1.305 712 G CA -0.586 44.040 45.100 -0.790 0.000 1.010 712 G HN 0.713 nan 8.290 nan 0.000 0.509 713 A N -0.400 122.237 122.820 -0.304 0.000 2.331 713 A HA 0.545 4.865 4.320 -0.001 0.000 0.283 713 A C 0.560 178.121 177.584 -0.039 0.000 1.142 713 A CA -0.460 51.521 52.037 -0.092 0.000 0.812 713 A CB 0.223 19.227 19.000 0.008 0.000 1.074 713 A HN 0.760 nan 8.150 nan 0.000 0.497 714 E N 2.282 122.446 120.200 -0.061 0.000 2.371 714 E HA 0.277 4.626 4.350 -0.001 0.000 0.257 714 E C 0.152 176.757 176.600 0.007 0.000 1.134 714 E CA -0.867 55.510 56.400 -0.037 0.000 0.919 714 E CB 0.697 30.342 29.700 -0.091 0.000 1.025 714 E HN 0.635 nan 8.360 nan 0.000 0.438 715 R N 1.111 121.623 120.500 0.020 0.000 2.523 715 R HA -0.154 4.185 4.340 -0.001 0.000 0.281 715 R C -0.540 175.760 176.300 0.001 0.000 0.969 715 R CA 0.654 56.765 56.100 0.020 0.000 1.093 715 R CB 0.391 30.698 30.300 0.012 0.000 0.917 715 R HN 0.693 nan 8.270 nan 0.000 0.408 716 Q N 3.395 123.200 119.800 0.009 0.000 2.323 716 Q HA 0.427 4.767 4.340 -0.001 0.000 0.271 716 Q C -1.785 174.220 176.000 0.008 0.000 1.048 716 Q CA -0.913 54.889 55.803 -0.002 0.000 0.792 716 Q CB 2.203 30.940 28.738 -0.002 0.000 1.280 716 Q HN 0.458 nan 8.270 nan 0.000 0.441 717 V N 3.956 123.867 119.914 -0.006 0.000 2.495 717 V HA 0.619 4.739 4.120 -0.001 0.000 0.298 717 V C -0.770 175.324 176.094 0.000 0.000 1.031 717 V CA -0.588 61.715 62.300 0.005 0.000 0.871 717 V CB 1.892 33.712 31.823 -0.006 0.000 0.988 717 V HN 0.652 nan 8.190 nan 0.000 0.432 718 V N 3.092 123.028 119.914 0.038 0.000 2.709 718 V HA 0.832 4.952 4.120 -0.001 0.000 0.308 718 V C -0.002 176.140 176.094 0.081 0.000 1.062 718 V CA -0.740 61.581 62.300 0.035 0.000 0.901 718 V CB 1.967 33.807 31.823 0.029 0.000 1.003 718 V HN 0.973 nan 8.190 nan 0.000 0.425 719 A N 2.702 125.554 122.820 0.053 0.000 2.288 719 A HA 0.845 5.165 4.320 -0.001 0.000 0.320 719 A C -0.043 177.591 177.584 0.083 0.000 1.217 719 A CA -0.391 51.687 52.037 0.068 0.000 0.840 719 A CB 0.879 19.909 19.000 0.050 0.000 1.179 719 A HN 0.773 nan 8.150 nan 0.000 0.504 720 T N 1.506 116.119 114.554 0.099 0.000 2.863 720 T HA 0.702 5.052 4.350 -0.001 0.000 0.285 720 T C -0.359 174.348 174.700 0.013 0.000 1.009 720 T CA -0.033 62.107 62.100 0.067 0.000 0.989 720 T CB 1.743 70.662 68.868 0.086 0.000 1.004 720 T HN 1.234 nan 8.240 nan 0.000 0.455 721 A N 2.239 125.031 122.820 -0.047 0.000 2.466 721 A HA 0.655 4.975 4.320 -0.001 0.000 0.291 721 A C 0.089 177.392 177.584 -0.467 0.000 1.234 721 A CA -0.776 51.106 52.037 -0.258 0.000 0.752 721 A CB 0.740 19.628 19.000 -0.186 0.000 1.153 721 A HN 0.756 nan 8.150 nan 0.000 0.458 722 T N 1.680 115.973 114.554 -0.436 0.000 2.788 722 T HA 0.674 5.023 4.350 -0.001 0.000 0.296 722 T C -0.966 173.552 174.700 -0.303 0.000 1.009 722 T CA -0.333 61.579 62.100 -0.315 0.000 0.949 722 T CB -0.506 68.298 68.868 -0.106 0.000 0.946 722 T HN 0.244 nan 8.240 nan 0.000 0.453 723 F N 3.595 123.623 119.950 0.129 0.000 2.404 723 F HA 0.614 5.141 4.527 -0.001 0.000 0.339 723 F C 1.022 176.854 175.800 0.054 0.000 1.105 723 F CA -1.226 56.789 58.000 0.026 0.000 1.087 723 F CB 1.068 40.068 39.000 -0.002 0.000 1.143 723 F HN 0.231 nan 8.300 nan 0.000 0.491 724 R N 3.645 124.213 120.500 0.113 0.000 2.275 724 R HA 0.371 4.711 4.340 -0.001 0.000 0.326 724 R C -1.005 175.309 176.300 0.023 0.000 0.973 724 R CA -0.607 55.581 56.100 0.147 0.000 0.854 724 R CB 0.552 30.915 30.300 0.105 0.000 1.156 724 R HN 0.464 nan 8.270 nan 0.000 0.487 725 F N 0.000 120.062 119.950 0.186 0.000 2.286 725 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 725 F CA 0.000 58.069 58.000 0.116 0.000 1.383 725 F CB 0.000 39.054 39.000 0.090 0.000 1.145 725 F HN 0.000 nan 8.300 nan 0.000 0.574